1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine

C108H175ClF5N7 — CID 161019396

IUPAC1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1cc(C)c(C)cc1C.CCNC(CC(C)(C)C)c1ccc(C)c(Cl)c1.CCNC(CC(C)(C)C)c1ccc(C)c(F)c1.CCNC(CC(C)(C)C)c1ccc(C)cc1.CCNC(CC(C)(C)C)c1ccc(C)cc1C.CCNC(CC(C)(C)C)c1ccc(C)cc1F.CCNC(CC(C)(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H29N.C16H27N.C15H24ClN.C15H22F3N.2C15H24FN.C15H25N/c1-8-18-16(11-17(5,6)7)15-10-13(3)12(2)9-14(15)4;1-7-17-15(11-16(4,5)6)14-9-8-12(2)10-13(14)3;1-6-17-14(10-15(3,4)5)12-8-7-11(2)13(16)9-12;1-5-19-13(10-14(2,3)4)11-7-6-8-12(9-11)15(16,17)18;1-6-17-14(10-15(3,4)5)12-8-7-11(2)13(16)9-12;1-6-17-14(10-15(3,4)5)12-8-7-11(2)9-13(12)16;1-6-16-14(11-15(3,4)5)13-9-7-12(2)8-10-13/h9-10,16,18H,8,11H2,1-7H3;8-10,15,17H,7,11H2,1-6H3;7-9,14,17H,6,10H2,1-5H3;6-9,13,19H,5,10H2,1-4H3;2*7-9,14,17H,6,10H2,1-5H3;7-10,14,16H,6,11H2,1-5H3
InChIKeyTYDXGOLYCJHCEY-UHFFFAOYSA-N
MW1702.08 g/mol
LogP31.14
Rot. Bonds28

About 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine

1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine (PubChem CID 161019396) has the molecular formula C108H175ClF5N7 and a molecular weight of 1702.08 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine
PubChem CID161019396
Molecular FormulaC108H175ClF5N7
Molecular Weight1702.08 g/mol
Exact Mass1700.35
IUPAC Name1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine
SMILESCCNC(CC(C)(C)C)c1cc(C)c(C)cc1C.CCNC(CC(C)(C)C)c1ccc(C)c(Cl)c1.CCNC(CC(C)(C)C)c1ccc(C)c(F)c1.CCNC(CC(C)(C)C)c1ccc(C)cc1.CCNC(CC(C)(C)C)c1ccc(C)cc1C.CCNC(CC(C)(C)C)c1ccc(C)cc1F.CCNC(CC(C)(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H29N.C16H27N.C15H24ClN.C15H22F3N.2C15H24FN.C15H25N/c1-8-18-16(11-17(5,6)7)15-10-13(3)12(2)9-14(15)4;1-7-17-15(11-16(4,5)6)14-9-8-12(2)10-13(14)3;1-6-17-14(10-15(3,4)5)12-8-7-11(2)13(16)9-12;1-5-19-13(10-14(2,3)4)11-7-6-8-12(9-11)15(16,17)18;1-6-17-14(10-15(3,4)5)12-8-7-11(2)13(16)9-12;1-6-17-14(10-15(3,4)5)12-8-7-11(2)9-13(12)16;1-6-16-14(11-15(3,4)5)13-9-7-12(2)8-10-13/h9-10,16,18H,8,11H2,1-7H3;8-10,15,17H,7,11H2,1-6H3;7-9,14,17H,6,10H2,1-5H3;6-9,13,19H,5,10H2,1-4H3;2*7-9,14,17H,6,10H2,1-5H3;7-10,14,16H,6,11H2,1-5H3
InChIKeyTYDXGOLYCJHCEY-UHFFFAOYSA-N
XLogP31.14
TPSA84.21 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001702.08
LogP ≤ 531.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine
CID 164969184
N-ethyl-4-[4-[1-(ethylamino)-3,3-dimethylbutyl]-3-methylphenyl]-3,3-dimethyl-1-(3-methylphenyl)butan-1-amine
CID 146620917
1-(3-chloro-4-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 107560280
1-(2,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43490017
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305
1-(3,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 43487984
[(3-chloro-4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301346
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 63418615
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 106881531
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-fluorophenyl)sulfanylethanamine
CID 107560383
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 107560395

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine (CID 161019396) is 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine is CCNC(CC(C)(C)C)c1cc(C)c(C)cc1C.CCNC(CC(C)(C)C)c1ccc(C)c(Cl)c1.CCNC(CC(C)(C)C)c1ccc(C)c(F)c1.CCNC(CC(C)(C)C)c1ccc(C)cc1.CCNC(CC(C)(C)C)c1ccc(C)cc1C.CCNC(CC(C)(C)C)c1ccc(C)cc1F.CCNC(CC(C)(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine?
The InChIKey is TYDXGOLYCJHCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N.C16H27N.C15H24ClN.C15H22F3N.2C15H24FN.C15H25N/c1-8-18-16(11-17(5,6)7)15-10-13(3)12(2)9-14(15)4;1-7-17-15(11-16(4,5)6)14-9-8-12(2)10-13(14)3;1-6-17-14(10-15(3,4)5)12-8-7-11(2)13(16)9-12;1-5-19-13(10-14(2,3)4)11-7-6-8-12(9-11)15(16,17)18;1-6-17-14(10-15(3,4)5)12-8-7-11(2)13(16)9-12;1-6-17-14(10-15(3,4)5)12-8-7-11(2)9-13(12)16;1-6-16-14(11-15(3,4)5)13-9-7-12(2)8-10-13/h9-10,16,18H,8,11H2,1-7H3;8-10,15,17H,7,11H2,1-6H3;7-9,14,17H,6,10H2,1-5H3;6-9,13,19H,5,10H2,1-4H3;2*7-9,14,17H,6,10H2,1-5H3;7-10,14,16H,6,11H2,1-5H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine?
1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine has a molecular weight of 1702.08 g/mol, XLogP of 31.14, 28 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;1-(2,4-dimethylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine;N-ethyl-3,3-dimethyl-1-(4-methylphenyl)butan-1-amine;N-ethyl-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine;N-ethyl-3,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine;N-ethyl-1-(2-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine;N-ethyl-1-(3-fluoro-4-methylphenyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 161019396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).