1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine

C12H16ClNO2 — CID 84801185

IUPAC1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
SMILESCOc1c(Cl)cc(C)c(C2(N)CC2)c1OC
InChIInChI=1S/C12H16ClNO2/c1-7-6-8(13)10(15-2)11(16-3)9(7)12(14)4-5-12/h6H,4-5,14H2,1-3H3
InChIKeyNVAQZVMAFSFGCP-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.61
Rot. Bonds3

About 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine

1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine (PubChem CID 84801185) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
PubChem CID84801185
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
SMILESCOc1c(Cl)cc(C)c(C2(N)CC2)c1OC
InChIInChI=1S/C12H16ClNO2/c1-7-6-8(13)10(15-2)11(16-3)9(7)12(14)4-5-12/h6H,4-5,14H2,1-3H3
InChIKeyNVAQZVMAFSFGCP-UHFFFAOYSA-N
XLogP2.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84790596
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
1-(3-chloro-2-methoxy-5,6-dimethylphenyl)cyclopentan-1-amine
CID 117388025
[1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117456529
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 117491804
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100
1-(2-methoxy-3,4,6-trimethylphenyl)cyclobutan-1-amine
CID 117112931
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexane-1-carboxylic acid
CID 117497851
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
CID 117327759
4-bromo-1-chloro-2,3-dimethoxy-5-methylbenzene
CID 84711447
1-(3-chloro-2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentan-1-amine
CID 117448992

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine (CID 84801185) is 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine is COc1c(Cl)cc(C)c(C2(N)CC2)c1OC.
What is the InChIKey of 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine?
The InChIKey is NVAQZVMAFSFGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-7-6-8(13)10(15-2)11(16-3)9(7)12(14)4-5-12/h6H,4-5,14H2,1-3H3.
What are the key properties of 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine?
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine has a molecular weight of 241.72 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84801185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).