1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine

C10H14ClNO2 — CID 63626727

IUPAC1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C10H14ClNO2/c1-12-6-7-4-5-8(13-2)10(14-3)9(7)11/h4-5,12H,6H2,1-3H3
InChIKeyLPBAWHXDFADMAI-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.08
Rot. Bonds4

About 1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine

1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine (PubChem CID 63626727) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
PubChem CID63626727
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
SMILESCNCc1ccc(OC)c(OC)c1Cl
InChIInChI=1S/C10H14ClNO2/c1-12-6-7-4-5-8(13-2)10(14-3)9(7)11/h4-5,12H,6H2,1-3H3
InChIKeyLPBAWHXDFADMAI-UHFFFAOYSA-N
XLogP2.08
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-3,4-dimethoxyphenyl)-N-ethoxymethanamine
CID 82710373
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63626938
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclooctanamine
CID 63626731
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63625363
O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine
CID 117310273
2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]benzonitrile
CID 63625849
3-(2-chloro-3,4-dimethoxyphenyl)propanenitrile
CID 142496645
1-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-3-methylbutan-2-ol
CID 115630589
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664419
3-[(2-chloro-3,4-dimethoxyphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857642
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55249228
2-[(2-chloro-3,4-dimethoxyphenyl)methylamino]propanamide
CID 63627273

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine (CID 63626727) is 1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine is CNCc1ccc(OC)c(OC)c1Cl.
What is the InChIKey of 1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine?
The InChIKey is LPBAWHXDFADMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-12-6-7-4-5-8(13-2)10(14-3)9(7)11/h4-5,12H,6H2,1-3H3.
What are the key properties of 1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine?
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine has a molecular weight of 215.68 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 63626727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).