(2-chloro-6-methoxy-3-methylphenyl)methanamine

C9H12ClNO — CID 84769899

IUPAC(2-chloro-6-methoxy-3-methylphenyl)methanamine
SMILESCOc1ccc(C)c(Cl)c1CN
InChIInChI=1S/C9H12ClNO/c1-6-3-4-8(12-2)7(5-11)9(6)10/h3-4H,5,11H2,1-2H3
InChIKeyJTJAPANERAOOFZ-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.12
Rot. Bonds2

About (2-chloro-6-methoxy-3-methylphenyl)methanamine

(2-chloro-6-methoxy-3-methylphenyl)methanamine (PubChem CID 84769899) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (2-chloro-6-methoxy-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-6-methoxy-3-methylphenyl)methanamine
PubChem CID84769899
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(2-chloro-6-methoxy-3-methylphenyl)methanamine
SMILESCOc1ccc(C)c(Cl)c1CN
InChIInChI=1S/C9H12ClNO/c1-6-3-4-8(12-2)7(5-11)9(6)10/h3-4H,5,11H2,1-2H3
InChIKeyJTJAPANERAOOFZ-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

2-chloro-6-methoxy-3-methylaniline
CID 84766117
3-(2-chloro-3,6-dimethoxyphenyl)propan-1-amine
CID 84793335
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
2-chloro-3-(chloromethyl)-1-methoxy-4-methylbenzene
CID 171008417
2,3-diiodo-1-methoxy-4-methylbenzene
CID 130056548
3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
CID 117305992
3-(2-chloro-3,6-dimethylphenyl)propan-1-amine
CID 84774719
1-chloro-7,8-dimethoxy-2-methylphenanthrene
CID 10517362
(2-chloro-3-methoxy-4-methylphenyl)methanamine
CID 83828901
[3-(2-chloro-3-methoxy-6-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117387064
(7-chloro-4-methoxy-2-methyl-1H-indol-3-yl)methanamine
CID 82494649
ethyl 2-(2-chloro-3-methoxy-6-methylphenyl)acetate
CID 171005738

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxy-3-methylphenyl)methanamine?
The IUPAC name of (2-chloro-6-methoxy-3-methylphenyl)methanamine (CID 84769899) is (2-chloro-6-methoxy-3-methylphenyl)methanamine.
What is the SMILES notation for (2-chloro-6-methoxy-3-methylphenyl)methanamine?
The canonical SMILES for (2-chloro-6-methoxy-3-methylphenyl)methanamine is COc1ccc(C)c(Cl)c1CN.
What is the InChIKey of (2-chloro-6-methoxy-3-methylphenyl)methanamine?
The InChIKey is JTJAPANERAOOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-3-4-8(12-2)7(5-11)9(6)10/h3-4H,5,11H2,1-2H3.
What are the key properties of (2-chloro-6-methoxy-3-methylphenyl)methanamine?
(2-chloro-6-methoxy-3-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-6-methoxy-3-methylphenyl)methanamine is sourced from PubChem (CID 84769899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).