N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline

C258H370Cl2F8N32O12 — CID 161207297

IUPACN-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline
SMILESCC(=O)NC(C)C.CC(C)N(C)c1ccccc1.CC(C)NC(=O)CCl.CC(C)NC(=O)c1ccc(-c2ccccc2)cc1.CC(C)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1.CC(C)NC(=O)c1ccccc1.CC(C)NC(=O)c1ccccn1.CC(C)NC(=O)c1cccnc1.CC(C)NC(=O)c1ccncc1.CC(C)NC(C)(C)c1ccccc1.CC(C)NC(C)c1ccccc1.CC(C)NCc1ccccc1.CC(C)Nc1ccccc1.CC(C)Nc1ccccc1-c1ccccc1.CC(C)Nc1ccccc1C(C)C.CC(C)Nc1ccccc1C(F)(F)F.CCN1CCN(c2ccc(NC(C)C)cc2C(F)F)CC1.CNCC(=O)NC(C)C.Cc1c(N)cccc1NC(C)C.Cc1ccc(C(=O)NC(C)C)cc1.Cc1ccc(NC(C)C)cc1.Cc1cccc(C(=O)NC(C)C)c1.Cc1cccc(NC(C)C)c1.Cc1ccccc1C(=O)NC(C)C.Cc1ccccc1NC(C)C
InChIInChI=1S/C16H25F2N3.C16H17NO.C15H17N.2C12H19N.C11H11ClF3NO.3C11H15NO.C11H17N.C10H12F3N.C10H16N2.C10H13NO.5C10H15N.3C9H12N2O.C9H13N.C6H14N2O.C5H10ClNO.C5H11NO/c1-4-20-7-9-21(10-8-20)15-6-5-13(19-12(2)3)11-14(15)16(17)18;1-12(2)17-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-12(2)16-15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-10(2)13-12(3,4)11-8-6-5-7-9-11;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-6(2)16-10(17)7-3-4-9(12)8(5-7)11(13,14)15;1-8(2)12-11(13)10-6-4-9(3)5-7-10;1-8(2)12-11(13)10-6-4-5-9(3)7-10;1-8(2)12-11(13)10-7-5-4-6-9(10)3;1-9(2)12-10(3)11-7-5-4-6-8-11;1-7(2)14-9-6-4-3-5-8(9)10(11,12)13;1-7(2)12-10-6-4-5-9(11)8(10)3;1-8(2)11-10(12)9-6-4-3-5-7-9;1-8(2)11-10-6-4-9(3)5-7-10;1-8(2)11-10-6-4-5-9(3)7-10;1-9(2)11(3)10-7-5-4-6-8-10;1-8(2)11-10-7-5-4-6-9(10)3;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-3-5-10-6-4-8;1-7(2)11-9(12)8-4-3-5-10-6-8;1-7(2)11-9(12)8-5-3-4-6-10-8;1-8(2)10-9-6-4-3-5-7-9;1-5(2)8-6(9)4-7-3;1-4(2)7-5(8)3-6;1-4(2)6-5(3)7/h5-6,11-12,16,19H,4,7-10H2,1-3H3;3-12H,1-2H3,(H,17,18);3-12,16H,1-2H3;2*5-10,13H,1-4H3;3-6H,1-2H3,(H,16,17);3*4-8H,1-3H3,(H,12,13);4-10,12H,1-3H3;3-7,14H,1-2H3;4-7,12H,11H2,1-3H3;3-8H,1-2H3,(H,11,12);2*4-8,11H,1-3H3;4-9H,1-3H3;4-8,11H,1-3H3;3-7,9,11H,8H2,1-2H3;3*3-7H,1-2H3,(H,11,12);3-8,10H,1-2H3;5,7H,4H2,1-3H3,(H,8,9);4H,3H2,1-2H3,(H,7,8);4H,1-3H3,(H,6,7)
InChIKeyUVTUFXWPCPTUNX-UHFFFAOYSA-N
MW4334.90 g/mol
LogP58.53
Rot. Bonds59

About N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline

N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline (PubChem CID 161207297) has the molecular formula C258H370Cl2F8N32O12 and a molecular weight of 4334.90 g/mol. Its IUPAC name is N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline
PubChem CID161207297
Molecular FormulaC258H370Cl2F8N32O12
Molecular Weight4334.90 g/mol
Exact Mass4330.86
IUPAC NameN-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline
SMILESCC(=O)NC(C)C.CC(C)N(C)c1ccccc1.CC(C)NC(=O)CCl.CC(C)NC(=O)c1ccc(-c2ccccc2)cc1.CC(C)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1.CC(C)NC(=O)c1ccccc1.CC(C)NC(=O)c1ccccn1.CC(C)NC(=O)c1cccnc1.CC(C)NC(=O)c1ccncc1.CC(C)NC(C)(C)c1ccccc1.CC(C)NC(C)c1ccccc1.CC(C)NCc1ccccc1.CC(C)Nc1ccccc1.CC(C)Nc1ccccc1-c1ccccc1.CC(C)Nc1ccccc1C(C)C.CC(C)Nc1ccccc1C(F)(F)F.CCN1CCN(c2ccc(NC(C)C)cc2C(F)F)CC1.CNCC(=O)NC(C)C.Cc1c(N)cccc1NC(C)C.Cc1ccc(C(=O)NC(C)C)cc1.Cc1ccc(NC(C)C)cc1.Cc1cccc(C(=O)NC(C)C)c1.Cc1cccc(NC(C)C)c1.Cc1ccccc1C(=O)NC(C)C.Cc1ccccc1NC(C)C
InChIInChI=1S/C16H25F2N3.C16H17NO.C15H17N.2C12H19N.C11H11ClF3NO.3C11H15NO.C11H17N.C10H12F3N.C10H16N2.C10H13NO.5C10H15N.3C9H12N2O.C9H13N.C6H14N2O.C5H10ClNO.C5H11NO/c1-4-20-7-9-21(10-8-20)15-6-5-13(19-12(2)3)11-14(15)16(17)18;1-12(2)17-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-12(2)16-15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-10(2)13-12(3,4)11-8-6-5-7-9-11;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-6(2)16-10(17)7-3-4-9(12)8(5-7)11(13,14)15;1-8(2)12-11(13)10-6-4-9(3)5-7-10;1-8(2)12-11(13)10-6-4-5-9(3)7-10;1-8(2)12-11(13)10-7-5-4-6-9(10)3;1-9(2)12-10(3)11-7-5-4-6-8-11;1-7(2)14-9-6-4-3-5-8(9)10(11,12)13;1-7(2)12-10-6-4-5-9(11)8(10)3;1-8(2)11-10(12)9-6-4-3-5-7-9;1-8(2)11-10-6-4-9(3)5-7-10;1-8(2)11-10-6-4-5-9(3)7-10;1-9(2)11(3)10-7-5-4-6-8-10;1-8(2)11-10-7-5-4-6-9(10)3;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-3-5-10-6-4-8;1-7(2)11-9(12)8-4-3-5-10-6-8;1-7(2)11-9(12)8-5-3-4-6-10-8;1-8(2)10-9-6-4-3-5-7-9;1-5(2)8-6(9)4-7-3;1-4(2)7-5(8)3-6;1-4(2)6-5(3)7/h5-6,11-12,16,19H,4,7-10H2,1-3H3;3-12H,1-2H3,(H,17,18);3-12,16H,1-2H3;2*5-10,13H,1-4H3;3-6H,1-2H3,(H,16,17);3*4-8H,1-3H3,(H,12,13);4-10,12H,1-3H3;3-7,14H,1-2H3;4-7,12H,11H2,1-3H3;3-8H,1-2H3,(H,11,12);2*4-8,11H,1-3H3;4-9H,1-3H3;4-8,11H,1-3H3;3-7,9,11H,8H2,1-2H3;3*3-7H,1-2H3,(H,11,12);3-8,10H,1-2H3;5,7H,4H2,1-3H3,(H,8,9);4H,3H2,1-2H3,(H,7,8);4H,1-3H3,(H,6,7)
InChIKeyUVTUFXWPCPTUNX-UHFFFAOYSA-N
XLogP58.53
TPSA580.00 Ų
H-Bond Donors26
H-Bond Acceptors32
Rotatable Bonds59
Heavy Atoms312
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004334.90
LogP ≤ 558.53
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1032

Analyze N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline?
The IUPAC name of N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline (CID 161207297) is N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline?
The canonical SMILES for N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline is CC(=O)NC(C)C.CC(C)N(C)c1ccccc1.CC(C)NC(=O)CCl.CC(C)NC(=O)c1ccc(-c2ccccc2)cc1.CC(C)NC(=O)c1ccc(Cl)c(C(F)(F)F)c1.CC(C)NC(=O)c1ccccc1.CC(C)NC(=O)c1ccccn1.CC(C)NC(=O)c1cccnc1.CC(C)NC(=O)c1ccncc1.CC(C)NC(C)(C)c1ccccc1.CC(C)NC(C)c1ccccc1.CC(C)NCc1ccccc1.CC(C)Nc1ccccc1.CC(C)Nc1ccccc1-c1ccccc1.CC(C)Nc1ccccc1C(C)C.CC(C)Nc1ccccc1C(F)(F)F.CCN1CCN(c2ccc(NC(C)C)cc2C(F)F)CC1.CNCC(=O)NC(C)C.Cc1c(N)cccc1NC(C)C.Cc1ccc(C(=O)NC(C)C)cc1.Cc1ccc(NC(C)C)cc1.Cc1cccc(C(=O)NC(C)C)c1.Cc1cccc(NC(C)C)c1.Cc1ccccc1C(=O)NC(C)C.Cc1ccccc1NC(C)C.
What is the InChIKey of N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline?
The InChIKey is UVTUFXWPCPTUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3.C16H17NO.C15H17N.2C12H19N.C11H11ClF3NO.3C11H15NO.C11H17N.C10H12F3N.C10H16N2.C10H13NO.5C10H15N.3C9H12N2O.C9H13N.C6H14N2O.C5H10ClNO.C5H11NO/c1-4-20-7-9-21(10-8-20)15-6-5-13(19-12(2)3)11-14(15)16(17)18;1-12(2)17-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-12(2)16-15-11-7-6-10-14(15)13-8-4-3-5-9-13;1-10(2)13-12(3,4)11-8-6-5-7-9-11;1-9(2)11-7-5-6-8-12(11)13-10(3)4;1-6(2)16-10(17)7-3-4-9(12)8(5-7)11(13,14)15;1-8(2)12-11(13)10-6-4-9(3)5-7-10;1-8(2)12-11(13)10-6-4-5-9(3)7-10;1-8(2)12-11(13)10-7-5-4-6-9(10)3;1-9(2)12-10(3)11-7-5-4-6-8-11;1-7(2)14-9-6-4-3-5-8(9)10(11,12)13;1-7(2)12-10-6-4-5-9(11)8(10)3;1-8(2)11-10(12)9-6-4-3-5-7-9;1-8(2)11-10-6-4-9(3)5-7-10;1-8(2)11-10-6-4-5-9(3)7-10;1-9(2)11(3)10-7-5-4-6-8-10;1-8(2)11-10-7-5-4-6-9(10)3;1-9(2)11-8-10-6-4-3-5-7-10;1-7(2)11-9(12)8-3-5-10-6-4-8;1-7(2)11-9(12)8-4-3-5-10-6-8;1-7(2)11-9(12)8-5-3-4-6-10-8;1-8(2)10-9-6-4-3-5-7-9;1-5(2)8-6(9)4-7-3;1-4(2)7-5(8)3-6;1-4(2)6-5(3)7/h5-6,11-12,16,19H,4,7-10H2,1-3H3;3-12H,1-2H3,(H,17,18);3-12,16H,1-2H3;2*5-10,13H,1-4H3;3-6H,1-2H3,(H,16,17);3*4-8H,1-3H3,(H,12,13);4-10,12H,1-3H3;3-7,14H,1-2H3;4-7,12H,11H2,1-3H3;3-8H,1-2H3,(H,11,12);2*4-8,11H,1-3H3;4-9H,1-3H3;4-8,11H,1-3H3;3-7,9,11H,8H2,1-2H3;3*3-7H,1-2H3,(H,11,12);3-8,10H,1-2H3;5,7H,4H2,1-3H3,(H,8,9);4H,3H2,1-2H3,(H,7,8);4H,1-3H3,(H,6,7).
What are the key properties of N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline?
N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline has a molecular weight of 4334.90 g/mol, XLogP of 58.53, 59 rotatable bonds, 26 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-2-amine;2-chloro-N-propan-2-ylacetamide;4-chloro-N-propan-2-yl-3-(trifluoromethyl)benzamide;3-(difluoromethyl)-4-(4-ethylpiperazin-1-yl)-N-propan-2-ylaniline;N,2-di(propan-2-yl)aniline;2-(methylamino)-N-propan-2-ylacetamide;N-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylaniline;3-methyl-N-propan-2-ylaniline;4-methyl-N-propan-2-ylaniline;2-methyl-N-propan-2-ylbenzamide;3-methyl-N-propan-2-ylbenzamide;4-methyl-N-propan-2-ylbenzamide;2-methyl-3-N-propan-2-ylbenzene-1,3-diamine;N-(1-phenylethyl)propan-2-amine;2-phenyl-N-propan-2-ylaniline;4-phenyl-N-propan-2-ylbenzamide;2-phenyl-N-propan-2-ylpropan-2-amine;N-propan-2-ylacetamide;N-propan-2-ylaniline;N-propan-2-ylbenzamide;N-propan-2-ylpyridine-2-carboxamide;N-propan-2-ylpyridine-3-carboxamide;N-propan-2-ylpyridine-4-carboxamide;N-propan-2-yl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 161207297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).