1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine

C12H16ClNO — CID 84790598

IUPAC1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
SMILESCOc1cc(C)c(C2(N)CC2)c(C)c1Cl
InChIInChI=1S/C12H16ClNO/c1-7-6-9(15-3)11(13)8(2)10(7)12(14)4-5-12/h6H,4-5,14H2,1-3H3
InChIKeyVRBIGXCZDMOOLM-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.91
Rot. Bonds2

About 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine

1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine (PubChem CID 84790598) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
PubChem CID84790598
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
SMILESCOc1cc(C)c(C2(N)CC2)c(C)c1Cl
InChIInChI=1S/C12H16ClNO/c1-7-6-9(15-3)11(13)8(2)10(7)12(14)4-5-12/h6H,4-5,14H2,1-3H3
InChIKeyVRBIGXCZDMOOLM-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopropyl)-5-methoxy-3,6-dimethylphenol
CID 84779621
1-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84790596
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(4-chloro-3-methoxy-5-methylphenyl)cyclopropan-1-amine
CID 84782091
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
2-(1-aminocyclopropyl)-6-methoxy-3,4-dimethylphenol
CID 117296163
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699
[1-(3-chloro-6-methoxy-2,4-dimethylphenyl)cyclobutyl]methanamine
CID 116963562
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
CID 117377331

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine (CID 84790598) is 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine is COc1cc(C)c(C2(N)CC2)c(C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine?
The InChIKey is VRBIGXCZDMOOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-7-6-9(15-3)11(13)8(2)10(7)12(14)4-5-12/h6H,4-5,14H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine?
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84790598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).