(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine

C16H18ClN — CID 81363703

IUPAC(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClN/c1-12-5-3-7-15(9-12)13(2)18-11-14-6-4-8-16(17)10-14/h3-10,13,18H,11H2,1-2H3/t13-/m1/s1
InChIKeyRHNRUNQLHRCNDK-CYBMUJFWSA-N
MW259.78 g/mol
LogP4.50
Rot. Bonds4

About (1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine

(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine (PubChem CID 81363703) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is (1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
PubChem CID81363703
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
SMILESCc1cccc([C@@H](C)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C16H18ClN/c1-12-5-3-7-15(9-12)13(2)18-11-14-6-4-8-16(17)10-14/h3-10,13,18H,11H2,1-2H3/t13-/m1/s1
InChIKeyRHNRUNQLHRCNDK-CYBMUJFWSA-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

(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
(1R)-N-[(2,4-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363606
(1S)-N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 103991886
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The IUPAC name of (1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine (CID 81363703) is (1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The canonical SMILES for (1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine is Cc1cccc([C@@H](C)NCc2cccc(Cl)c2)c1.
What is the InChIKey of (1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
The InChIKey is RHNRUNQLHRCNDK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18ClN/c1-12-5-3-7-15(9-12)13(2)18-11-14-6-4-8-16(17)10-14/h3-10,13,18H,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine?
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)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 (1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 81363703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).