1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

C18H22ClN — CID 43080713

IUPAC1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNC(C)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H22ClN/c1-12-9-13(2)18(14(3)10-12)11-20-15(4)16-5-7-17(19)8-6-16/h5-10,15,20H,11H2,1-4H3
InChIKeyYNFLNWWJJASDNX-UHFFFAOYSA-N
MW287.83 g/mol
LogP5.12
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine

1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (PubChem CID 43080713) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
PubChem CID43080713
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)c(CNC(C)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C18H22ClN/c1-12-9-13(2)18(14(3)10-12)11-20-15(4)16-5-7-17(19)8-6-16/h5-10,15,20H,11H2,1-4H3
InChIKeyYNFLNWWJJASDNX-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.83
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950390
(1R)-1-(4-chlorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81352293
(1R)-N-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81348826
1-(2-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 22483271
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
(1R)-1-(4-chlorophenyl)-N-[(4-chlorothiophen-2-yl)methyl]ethanamine
CID 81352477
(1R)-1-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 29053404
(1S)-1-(4-chlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115524132
(1R)-N-[(2,5-dichlorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81356867
1-(3,4-difluorophenyl)-N-[(2,6-dimethylphenyl)methyl]ethanamine
CID 81301146
(1R)-N-[(2-chloro-6-fluorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28517521

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine (CID 43080713) is 1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is Cc1cc(C)c(CNC(C)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
The InChIKey is YNFLNWWJJASDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-12-9-13(2)18(14(3)10-12)11-20-15(4)16-5-7-17(19)8-6-16/h5-10,15,20H,11H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine?
1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine has a molecular weight of 287.83 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43080713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).