(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine

C12H14ClN3 — CID 63195529

IUPAC(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
SMILESCc1ccc(C(N)c2nccn2C)cc1Cl
InChIInChI=1S/C12H14ClN3/c1-8-3-4-9(7-10(8)13)11(14)12-15-5-6-16(12)2/h3-7,11H,14H2,1-2H3
InChIKeyMQIARPXZOHZEKL-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.43
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine

(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine (PubChem CID 63195529) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
PubChem CID63195529
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
SMILESCc1ccc(C(N)c2nccn2C)cc1Cl
InChIInChI=1S/C12H14ClN3/c1-8-3-4-9(7-10(8)13)11(14)12-15-5-6-16(12)2/h3-7,11H,14H2,1-2H3
InChIKeyMQIARPXZOHZEKL-UHFFFAOYSA-N
XLogP2.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanol
CID 63195009
(R)-(4-bromophenyl)-(1-methylimidazol-2-yl)methanamine
CID 42220181
(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride
CID 52983573
(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 65312123
[1-(3-chloro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340350
(3-chloro-4-methylphenyl)-(1,3-thiazol-2-yl)methanamine
CID 106818042
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860386
(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 9115286
(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 81278716
(1-methylimidazol-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544947
(3-chloro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 63523104
(3-chloro-4-methylphenyl)-(3,5-dichloro-2-pyridinyl)methanamine
CID 107560529

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine (CID 63195529) is (3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine is Cc1ccc(C(N)c2nccn2C)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
The InChIKey is MQIARPXZOHZEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-8-3-4-9(7-10(8)13)11(14)12-15-5-6-16(12)2/h3-7,11H,14H2,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine?
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine has a molecular weight of 235.72 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 63195529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).