1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine

C16H18ClN — CID 22483034

IUPAC1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClN/c1-12-7-9-14(10-8-12)11-18-13(2)15-5-3-4-6-16(15)17/h3-10,13,18H,11H2,1-2H3
InChIKeyKLOXFHMCOCOHGO-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.50
Rot. Bonds4

About 1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine

1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine (PubChem CID 22483034) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
PubChem CID22483034
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine
SMILESCc1ccc(CNC(C)c2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClN/c1-12-7-9-14(10-8-12)11-18-13(2)15-5-3-4-6-16(15)17/h3-10,13,18H,11H2,1-2H3
InChIKeyKLOXFHMCOCOHGO-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-tert-butylphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43080987
1-(2-chlorophenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 22483271
1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55139743
4-[[1-(2-chlorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43181373
(1S)-1-(2-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81376878
(1R)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81377994
(1S)-1-(2-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 81378308
5-[[1-(2-chlorophenyl)ethylamino]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 42949752
5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 37224761
4-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-2-fluorophenol
CID 107685905
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 106816985

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine (CID 22483034) is 1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine is Cc1ccc(CNC(C)c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine?
The InChIKey is KLOXFHMCOCOHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-12-7-9-14(10-8-12)11-18-13(2)15-5-3-4-6-16(15)17/h3-10,13,18H,11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine?
1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine has a molecular weight of 259.78 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 22483034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).