1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine

C11H14ClNO — CID 84782031

IUPAC1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine
SMILESCOc1cc(Cl)c(C)c(C2(N)CC2)c1
InChIInChI=1S/C11H14ClNO/c1-7-9(11(13)3-4-11)5-8(14-2)6-10(7)12/h5-6H,3-4,13H2,1-2H3
InChIKeyIXZMHQUYZCHINA-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.60
Rot. Bonds2

About 1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine

1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine (PubChem CID 84782031) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine
PubChem CID84782031
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine
SMILESCOc1cc(Cl)c(C)c(C2(N)CC2)c1
InChIInChI=1S/C11H14ClNO/c1-7-9(11(13)3-4-11)5-8(14-2)6-10(7)12/h5-6H,3-4,13H2,1-2H3
InChIKeyIXZMHQUYZCHINA-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine
CID 84779618
1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784359
1-(3-chloro-5-methoxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117390007
1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84806376
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol
CID 117286770
1-(5-chloro-2,3-dimethylphenyl)cyclopropan-1-amine
CID 84773855
1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117299047
1-(2-chloro-6-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 84802273
4-(1-aminocyclopropyl)-2-chloro-3-methoxy-6-methylphenol
CID 84791831
[1-(3-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]methanamine
CID 117331514
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine (CID 84782031) is 1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine is COc1cc(Cl)c(C)c(C2(N)CC2)c1.
What is the InChIKey of 1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine?
The InChIKey is IXZMHQUYZCHINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c1-7-9(11(13)3-4-11)5-8(14-2)6-10(7)12/h5-6H,3-4,13H2,1-2H3.
What are the key properties of 1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine?
1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine has a molecular weight of 211.69 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84782031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).