N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane

C145H263F4N15O12S — CID 162233435

IUPACN',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane
SMILESCC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)NC(=O)Nc1ccccc1.CC(C)NCCN1CCOCC1.CC(C)NCCc1ccc(O)cc1.CC(C)NCc1ccc(F)cc1.CC(C)Nc1ccc(F)cc1.CC(C)OC(C)C.CC(C)OC1CC1.CC(C)OC1CCC1.CC(C)OC1CCCC1.CC(C)OCCN1CCN(C)CC1.CC(C)Oc1ccc(F)cc1.CC(C)Sc1ccc(F)cc1.CCN(CC)CCNC(C)C.CCOC(C)C.COc1ccc(CCNC(C)C)cc1
InChIInChI=1S/C12H19NO.C11H17NO.C10H14FN.C10H22N2O.C10H14N2O.C9H12FN.C9H11FO.C9H11FS.C9H20N2O.C9H22N2.C8H18N2.C8H16O.C7H15NO.C7H14O.C6H12O.C6H14O.C5H12O/c1-10(2)13-9-8-11-4-6-12(14-3)7-5-11;1-9(2)12-8-7-10-3-5-11(13)6-4-10;1-8(2)12-7-9-3-5-10(11)6-4-9;1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-8(2)11-10(13)12-9-6-4-3-5-7-9;3*1-7(2)11-9-5-3-8(10)4-6-9;1-9(2)10-3-4-11-5-7-12-8-6-11;1-5-11(6-2)8-7-10-9(3)4;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-7-4-3-5-7;1-5(2)7-6-3-4-6;1-5(2)7-6(3)4;1-4-6-5(2)3/h4-7,10,13H,8-9H2,1-3H3;3-6,9,12-13H,7-8H2,1-2H3;3-6,8,12H,7H2,1-2H3;10H,4-9H2,1-3H3;3-8H,1-2H3,(H2,11,12,13);3-7,11H,1-2H3;2*3-7H,1-2H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5H,4H2,1-3H3
InChIKeyZVTAJORLBWSACM-UHFFFAOYSA-N
MW2516.85 g/mol
LogP30.11
Rot. Bonds46

About N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane

N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane (PubChem CID 162233435) has the molecular formula C145H263F4N15O12S and a molecular weight of 2516.85 g/mol. Its IUPAC name is N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane.

Molecular Properties

Compound NameN',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane
PubChem CID162233435
Molecular FormulaC145H263F4N15O12S
Molecular Weight2516.85 g/mol
Exact Mass2515.01
IUPAC NameN',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane
SMILESCC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)NC(=O)Nc1ccccc1.CC(C)NCCN1CCOCC1.CC(C)NCCc1ccc(O)cc1.CC(C)NCc1ccc(F)cc1.CC(C)Nc1ccc(F)cc1.CC(C)OC(C)C.CC(C)OC1CC1.CC(C)OC1CCC1.CC(C)OC1CCCC1.CC(C)OCCN1CCN(C)CC1.CC(C)Oc1ccc(F)cc1.CC(C)Sc1ccc(F)cc1.CCN(CC)CCNC(C)C.CCOC(C)C.COc1ccc(CCNC(C)C)cc1
InChIInChI=1S/C12H19NO.C11H17NO.C10H14FN.C10H22N2O.C10H14N2O.C9H12FN.C9H11FO.C9H11FS.C9H20N2O.C9H22N2.C8H18N2.C8H16O.C7H15NO.C7H14O.C6H12O.C6H14O.C5H12O/c1-10(2)13-9-8-11-4-6-12(14-3)7-5-11;1-9(2)12-8-7-10-3-5-11(13)6-4-10;1-8(2)12-7-9-3-5-10(11)6-4-9;1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-8(2)11-10(13)12-9-6-4-3-5-7-9;3*1-7(2)11-9-5-3-8(10)4-6-9;1-9(2)10-3-4-11-5-7-12-8-6-11;1-5-11(6-2)8-7-10-9(3)4;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-7-4-3-5-7;1-5(2)7-6-3-4-6;1-5(2)7-6(3)4;1-4-6-5(2)3/h4-7,10,13H,8-9H2,1-3H3;3-6,9,12-13H,7-8H2,1-2H3;3-6,8,12H,7H2,1-2H3;10H,4-9H2,1-3H3;3-8H,1-2H3,(H2,11,12,13);3-7,11H,1-2H3;2*3-7H,1-2H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5H,4H2,1-3H3
InChIKeyZVTAJORLBWSACM-UHFFFAOYSA-N
XLogP30.11
TPSA248.52 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds46
Heavy Atoms177
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002516.85
LogP ≤ 530.11
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane?
The IUPAC name of N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane (CID 162233435) is N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane.
What is the SMILES notation for N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane?
The canonical SMILES for N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane is CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)NC(=O)Nc1ccccc1.CC(C)NCCN1CCOCC1.CC(C)NCCc1ccc(O)cc1.CC(C)NCc1ccc(F)cc1.CC(C)Nc1ccc(F)cc1.CC(C)OC(C)C.CC(C)OC1CC1.CC(C)OC1CCC1.CC(C)OC1CCCC1.CC(C)OCCN1CCN(C)CC1.CC(C)Oc1ccc(F)cc1.CC(C)Sc1ccc(F)cc1.CCN(CC)CCNC(C)C.CCOC(C)C.COc1ccc(CCNC(C)C)cc1.
What is the InChIKey of N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane?
The InChIKey is ZVTAJORLBWSACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C11H17NO.C10H14FN.C10H22N2O.C10H14N2O.C9H12FN.C9H11FO.C9H11FS.C9H20N2O.C9H22N2.C8H18N2.C8H16O.C7H15NO.C7H14O.C6H12O.C6H14O.C5H12O/c1-10(2)13-9-8-11-4-6-12(14-3)7-5-11;1-9(2)12-8-7-10-3-5-11(13)6-4-10;1-8(2)12-7-9-3-5-10(11)6-4-9;1-10(2)13-9-8-12-6-4-11(3)5-7-12;1-8(2)11-10(13)12-9-6-4-3-5-7-9;3*1-7(2)11-9-5-3-8(10)4-6-9;1-9(2)10-3-4-11-5-7-12-8-6-11;1-5-11(6-2)8-7-10-9(3)4;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-8-5-3-4-6-8;1-7(2)8-3-5-9-6-4-8;1-6(2)8-7-4-3-5-7;1-5(2)7-6-3-4-6;1-5(2)7-6(3)4;1-4-6-5(2)3/h4-7,10,13H,8-9H2,1-3H3;3-6,9,12-13H,7-8H2,1-2H3;3-6,8,12H,7H2,1-2H3;10H,4-9H2,1-3H3;3-8H,1-2H3,(H2,11,12,13);3-7,11H,1-2H3;2*3-7H,1-2H3;9-10H,3-8H2,1-2H3;9-10H,5-8H2,1-4H3;8H,4-7H2,1-3H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5H,4H2,1-3H3.
What are the key properties of N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane?
N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane has a molecular weight of 2516.85 g/mol, XLogP of 30.11, 46 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-propan-2-ylethane-1,2-diamine;2-ethoxypropane;N-[(4-fluorophenyl)methyl]propan-2-amine;4-fluoro-N-propan-2-ylaniline;1-fluoro-4-propan-2-yloxybenzene;1-fluoro-4-propan-2-ylsulfanylbenzene;N-[2-(4-methoxyphenyl)ethyl]propan-2-amine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-propan-2-ylpiperazine;N-(2-morpholin-4-ylethyl)propan-2-amine;1-phenyl-3-propan-2-ylurea;4-[2-(propan-2-ylamino)ethyl]phenol;4-propan-2-ylmorpholine;propan-2-yloxycyclobutane;propan-2-yloxycyclopentane;propan-2-yloxycyclopropane;2-propan-2-yloxypropane is sourced from PubChem (CID 162233435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).