1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine

C18H22ClN — CID 115828896

IUPAC1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)c2ccc(Cl)c(C)c2)c(C)c1
InChIInChI=1S/C18H22ClN/c1-11-7-12(2)16(13(3)8-11)10-18(20)15-5-6-17(19)14(4)9-15/h5-9,18H,10,20H2,1-4H3
InChIKeyYWPXGPPMSSZGEZ-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.82
Rot. Bonds3

About 1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine

1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 115828896) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
PubChem CID115828896
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
SMILESCc1cc(C)c(CC(N)c2ccc(Cl)c(C)c2)c(C)c1
InChIInChI=1S/C18H22ClN/c1-11-7-12(2)16(13(3)8-11)10-18(20)15-5-6-17(19)14(4)9-15/h5-9,18H,10,20H2,1-4H3
InChIKeyYWPXGPPMSSZGEZ-UHFFFAOYSA-N
XLogP4.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
CID 55274034
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
1-(4-bromophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 55188112
(1S)-1-(4-chloro-3-methylphenyl)pentan-1-amine
CID 171231485
1-(4-fluorophenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549310
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 105034993
1-pyridin-4-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549860
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 103043039
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
(1R)-1-(4-chloro-3-methylphenyl)-3-methylbut-3-en-1-amine
CID 131625308
2-(2-bromo-5-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 115843687
1-(3,4-dichlorophenyl)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 63415878

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine (CID 115828896) is 1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine is Cc1cc(C)c(CC(N)c2ccc(Cl)c(C)c2)c(C)c1.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is YWPXGPPMSSZGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-11-7-12(2)16(13(3)8-11)10-18(20)15-5-6-17(19)14(4)9-15/h5-9,18H,10,20H2,1-4H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine?
1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 115828896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).