(2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride

C14H15Cl2N — CID 167531061

IUPAC(2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride
SMILESCc1ccc(Cl)c(C(N)c2ccccc2)c1.Cl
InChIInChI=1S/C14H14ClN.ClH/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11;/h2-9,14H,16H2,1H3;1H
InChIKeyJZMGFAWISQTGRS-UHFFFAOYSA-N
MW268.19 g/mol
LogP4.12
Rot. Bonds2

About (2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride

(2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride (PubChem CID 167531061) has the molecular formula C14H15Cl2N and a molecular weight of 268.19 g/mol. Its IUPAC name is (2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride.

Molecular Properties

Compound Name(2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride
PubChem CID167531061
Molecular FormulaC14H15Cl2N
Molecular Weight268.19 g/mol
Exact Mass267.06
IUPAC Name(2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride
SMILESCc1ccc(Cl)c(C(N)c2ccccc2)c1.Cl
InChIInChI=1S/C14H14ClN.ClH/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11;/h2-9,14H,16H2,1H3;1H
InChIKeyJZMGFAWISQTGRS-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[azido(phenyl)methyl]-1-chloro-4-methylbenzene;(2-chloro-5-methylphenyl)-phenylmethanamine
CID 159587223
2-[(S)-amino(phenyl)methyl]-4-methylphenol
CID 131560802
(4-chloro-3-methylphenyl)-phenylmethanamine
CID 71247470
(2-chloro-4-methylphenyl)-(3-chlorophenyl)methanamine
CID 106857071
(4-chloronaphthalen-1-yl)-phenylmethanamine
CID 79597515
(3-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62789986
(3-chloro-5-methylphenyl)-(2,5-dichlorophenyl)methanamine
CID 81323932
(2-methylphenyl)-phenylmethanamine
CID 15254157
(4-tert-butylphenyl)-(2-chloro-4-methylphenyl)methanamine
CID 106857421
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
(2,5-dimethylphenyl)-(4-ethylphenyl)methanamine
CID 43198611

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride?
The IUPAC name of (2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride (CID 167531061) is (2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride.
What is the SMILES notation for (2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride?
The canonical SMILES for (2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride is Cc1ccc(Cl)c(C(N)c2ccccc2)c1.Cl.
What is the InChIKey of (2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride?
The InChIKey is JZMGFAWISQTGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN.ClH/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11;/h2-9,14H,16H2,1H3;1H.
What are the key properties of (2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride?
(2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride has a molecular weight of 268.19 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-methylphenyl)-phenylmethanamine;hydrochloride is sourced from PubChem (CID 167531061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).