(4-chloro-3-methylphenyl)-phenylmethanamine

C14H14ClN — CID 71247470

IUPAC(4-chloro-3-methylphenyl)-phenylmethanamine
SMILESCc1cc(C(N)c2ccccc2)ccc1Cl
InChIInChI=1S/C14H14ClN/c1-10-9-12(7-8-13(10)15)14(16)11-5-3-2-4-6-11/h2-9,14H,16H2,1H3
InChIKeyLWTXGGMHVUTOKN-UHFFFAOYSA-N
MW231.73 g/mol
LogP3.70
Rot. Bonds2

About (4-chloro-3-methylphenyl)-phenylmethanamine

(4-chloro-3-methylphenyl)-phenylmethanamine (PubChem CID 71247470) has the molecular formula C14H14ClN and a molecular weight of 231.73 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-phenylmethanamine.

Molecular Properties

Compound Name(4-chloro-3-methylphenyl)-phenylmethanamine
PubChem CID71247470
Molecular FormulaC14H14ClN
Molecular Weight231.73 g/mol
Exact Mass231.08
IUPAC Name(4-chloro-3-methylphenyl)-phenylmethanamine
SMILESCc1cc(C(N)c2ccccc2)ccc1Cl
InChIInChI=1S/C14H14ClN/c1-10-9-12(7-8-13(10)15)14(16)11-5-3-2-4-6-11/h2-9,14H,16H2,1H3
InChIKeyLWTXGGMHVUTOKN-UHFFFAOYSA-N
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-methylphenyl)-(2-fluorophenyl)methanamine
CID 115828038
(4-chloro-3-methylphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050742
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990516
(4-chloro-3-methylphenyl)-(3-cyclobutylphenyl)methanamine
CID 105053710
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanamine
CID 105044946
(R)-(4-chloro-3-methylphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171231501
(2,6-dichlorophenyl)-(3,4-dimethylphenyl)methanamine
CID 43149184
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
1-(4-chloro-3-methylphenyl)ethane-1,2-diamine
CID 55274034
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride
CID 167531061
(S)-phenyl-(4-propan-2-ylphenyl)methanamine;hydrochloride
CID 175772829

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-phenylmethanamine?
The IUPAC name of (4-chloro-3-methylphenyl)-phenylmethanamine (CID 71247470) is (4-chloro-3-methylphenyl)-phenylmethanamine.
What is the SMILES notation for (4-chloro-3-methylphenyl)-phenylmethanamine?
The canonical SMILES for (4-chloro-3-methylphenyl)-phenylmethanamine is Cc1cc(C(N)c2ccccc2)ccc1Cl.
What is the InChIKey of (4-chloro-3-methylphenyl)-phenylmethanamine?
The InChIKey is LWTXGGMHVUTOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN/c1-10-9-12(7-8-13(10)15)14(16)11-5-3-2-4-6-11/h2-9,14H,16H2,1H3.
What are the key properties of (4-chloro-3-methylphenyl)-phenylmethanamine?
(4-chloro-3-methylphenyl)-phenylmethanamine has a molecular weight of 231.73 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methylphenyl)-phenylmethanamine is sourced from PubChem (CID 71247470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).