(4-chloro-2,5-dimethylphenyl)methanamine

C9H12ClN — CID 22980871

IUPAC(4-chloro-2,5-dimethylphenyl)methanamine
SMILESCc1cc(CN)c(C)cc1Cl
InChIInChI=1S/C9H12ClN/c1-6-4-9(10)7(2)3-8(6)5-11/h3-4H,5,11H2,1-2H3
InChIKeyQTQXSCWLJPRCQW-UHFFFAOYSA-N
MW169.65 g/mol
LogP2.42
Rot. Bonds1

About (4-chloro-2,5-dimethylphenyl)methanamine

(4-chloro-2,5-dimethylphenyl)methanamine (PubChem CID 22980871) has the molecular formula C9H12ClN and a molecular weight of 169.65 g/mol. Its IUPAC name is (4-chloro-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2,5-dimethylphenyl)methanamine
PubChem CID22980871
Molecular FormulaC9H12ClN
Molecular Weight169.65 g/mol
Exact Mass169.07
IUPAC Name(4-chloro-2,5-dimethylphenyl)methanamine
SMILESCc1cc(CN)c(C)cc1Cl
InChIInChI=1S/C9H12ClN/c1-6-4-9(10)7(2)3-8(6)5-11/h3-4H,5,11H2,1-2H3
InChIKeyQTQXSCWLJPRCQW-UHFFFAOYSA-N
XLogP2.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.65
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-chloro-2,5-dimethylphenyl)ethoxy]ethanamine
CID 65305515
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine
CID 114060514
1-[2-(4-chloro-2,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481535
(2-chloro-4-methoxy-5-methylphenyl)methanamine
CID 57458151
5-(aminomethyl)-2,4-dimethylaniline
CID 13465101
(4-chloro-2,6-dimethylquinolin-7-yl)methanamine
CID 141070723
4-(aminomethyl)-2-chloro-6-methylbenzene-1,3-diol
CID 84770587
ethyl 3-(4-chloro-2,5-dimethylphenyl)propanoate
CID 91605979
1,5-dichloro-2,4-dimethylbenzene
CID 4174838
(3,5-dichloro-2-methylphenyl)methanamine
CID 121228387
[5-(2-chloro-4,5-dimethylphenyl)-2-methoxyphenyl]methanamine
CID 115484396

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-dimethylphenyl)methanamine?
The IUPAC name of (4-chloro-2,5-dimethylphenyl)methanamine (CID 22980871) is (4-chloro-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (4-chloro-2,5-dimethylphenyl)methanamine?
The canonical SMILES for (4-chloro-2,5-dimethylphenyl)methanamine is Cc1cc(CN)c(C)cc1Cl.
What is the InChIKey of (4-chloro-2,5-dimethylphenyl)methanamine?
The InChIKey is QTQXSCWLJPRCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c1-6-4-9(10)7(2)3-8(6)5-11/h3-4H,5,11H2,1-2H3.
What are the key properties of (4-chloro-2,5-dimethylphenyl)methanamine?
(4-chloro-2,5-dimethylphenyl)methanamine has a molecular weight of 169.65 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 22980871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).