(2-chloro-3-methoxy-4-methylphenyl)methanamine

C9H12ClNO — CID 83828901

IUPAC(2-chloro-3-methoxy-4-methylphenyl)methanamine
SMILESCOc1c(C)ccc(CN)c1Cl
InChIInChI=1S/C9H12ClNO/c1-6-3-4-7(5-11)8(10)9(6)12-2/h3-4H,5,11H2,1-2H3
InChIKeyKVJAIAVWCCQVBJ-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.12
Rot. Bonds2

About (2-chloro-3-methoxy-4-methylphenyl)methanamine

(2-chloro-3-methoxy-4-methylphenyl)methanamine (PubChem CID 83828901) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (2-chloro-3-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-3-methoxy-4-methylphenyl)methanamine
PubChem CID83828901
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(2-chloro-3-methoxy-4-methylphenyl)methanamine
SMILESCOc1c(C)ccc(CN)c1Cl
InChIInChI=1S/C9H12ClNO/c1-6-3-4-7(5-11)8(10)9(6)12-2/h3-4H,5,11H2,1-2H3
InChIKeyKVJAIAVWCCQVBJ-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[2-(2-chloro-3-methoxy-4-methylphenyl)ethyl]hydroxylamine
CID 117307430
3-(2-chloro-3-methoxy-4-methylphenyl)-2,2-dimethylpropanoic acid
CID 117395239
3-(2-chloro-3-methoxy-4-methylphenyl)butan-1-amine
CID 117328027
3-[(2-chloro-3-methoxy-4-methylphenyl)methyl]pyrrolidine
CID 84800053
1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117324499
(2-chloro-6-methoxy-3-methylphenyl)methanamine
CID 84769899
2-chloro-3-methoxy-4-methylbenzonitrile
CID 117278975
[2-(2-methoxy-3,4-dimethylphenyl)-4-methylphenyl]methanamine
CID 103434113
1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol
CID 159078208
O-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]hydroxylamine
CID 117335488
4-(3-chloro-2,4-dimethoxy-5-methylphenyl)butan-1-amine
CID 117398141
3-chloro-1-(isocyanatomethyl)-2-methoxy-4-methylbenzene
CID 117302269

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methoxy-4-methylphenyl)methanamine?
The IUPAC name of (2-chloro-3-methoxy-4-methylphenyl)methanamine (CID 83828901) is (2-chloro-3-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for (2-chloro-3-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for (2-chloro-3-methoxy-4-methylphenyl)methanamine is COc1c(C)ccc(CN)c1Cl.
What is the InChIKey of (2-chloro-3-methoxy-4-methylphenyl)methanamine?
The InChIKey is KVJAIAVWCCQVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-3-4-7(5-11)8(10)9(6)12-2/h3-4H,5,11H2,1-2H3.
What are the key properties of (2-chloro-3-methoxy-4-methylphenyl)methanamine?
(2-chloro-3-methoxy-4-methylphenyl)methanamine has a molecular weight of 185.65 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 83828901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).