1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine

C12H16ClNO2 — CID 66783478

IUPAC1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1ccc(CC2(N)CC2)c(Cl)c1OC
InChIInChI=1S/C12H16ClNO2/c1-15-9-4-3-8(7-12(14)5-6-12)10(13)11(9)16-2/h3-4H,5-7,14H2,1-2H3
InChIKeyVGCZVLXEFWMVPY-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.39
Rot. Bonds4

About 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine

1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine (PubChem CID 66783478) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
PubChem CID66783478
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine
SMILESCOc1ccc(CC2(N)CC2)c(Cl)c1OC
InChIInChI=1S/C12H16ClNO2/c1-15-9-4-3-8(7-12(14)5-6-12)10(13)11(9)16-2/h3-4H,5-7,14H2,1-2H3
InChIKeyVGCZVLXEFWMVPY-UHFFFAOYSA-N
XLogP2.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-2-methoxy-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117324499
O-[(2-chloro-3,4-dimethoxyphenyl)methyl]hydroxylamine
CID 117310273
1-[(5-chloro-2,3-dimethoxyphenyl)methyl]cyclopropan-1-amine
CID 117356301
2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
CID 104688570
1-(2-chloro-3,4-dimethoxyphenyl)-N-methylmethanamine
CID 63626727
1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
CID 103741168
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63626938
3-[(1-aminocyclopropyl)methyl]-2-chloro-4,5-dimethoxyphenol
CID 117397604
1-[(2-chloro-3-fluoro-4-methylphenyl)methyl]cyclopropan-1-amine
CID 117304677
[1-(2-chloro-3,4-dimethoxyphenyl)cyclobutyl]methanamine
CID 117392400
4-[(2-chloro-3,4-dimethoxyphenyl)methyl]piperidine
CID 117427876
3-(2-chloro-3,4-dimethoxyphenyl)propanenitrile
CID 142496645

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine (CID 66783478) is 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine is COc1ccc(CC2(N)CC2)c(Cl)c1OC.
What is the InChIKey of 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine?
The InChIKey is VGCZVLXEFWMVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-15-9-4-3-8(7-12(14)5-6-12)10(13)11(9)16-2/h3-4H,5-7,14H2,1-2H3.
What are the key properties of 1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine?
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]cyclopropan-1-amine has a molecular weight of 241.72 g/mol, XLogP of 2.39, 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)methyl]cyclopropan-1-amine is sourced from PubChem (CID 66783478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).