1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine

C11H14ClNO2 — CID 117327759

IUPAC1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1ccc(Cl)c(OC)c1C1(N)CC1
InChIInChI=1S/C11H14ClNO2/c1-14-8-4-3-7(12)10(15-2)9(8)11(13)5-6-11/h3-4H,5-6,13H2,1-2H3
InChIKeyHEGAGQSOKVZDBR-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.31
Rot. Bonds3

About 1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine

1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine (PubChem CID 117327759) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
PubChem CID117327759
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
SMILESCOc1ccc(Cl)c(OC)c1C1(N)CC1
InChIInChI=1S/C11H14ClNO2/c1-14-8-4-3-7(12)10(15-2)9(8)11(13)5-6-11/h3-4H,5-6,13H2,1-2H3
InChIKeyHEGAGQSOKVZDBR-UHFFFAOYSA-N
XLogP2.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117356551
1-(2,6-dimethoxy-3-methylphenyl)cyclopropan-1-amine
CID 84779676
[1-(3-chloro-2,6-dimethoxyphenyl)cyclopentyl]methanamine
CID 117427815
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117394900
1-(2,7-dimethoxynaphthalen-1-yl)cyclopropan-1-amine
CID 117360042
1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494434
1-(4-chloro-2,3-dimethoxy-6-methylphenyl)cyclopropan-1-amine
CID 84801185
1-(6-bromo-2-methoxynaphthalen-1-yl)cyclopropan-1-amine
CID 84814976
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
1-(4-bromo-6-chloro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 117491804
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
N-[2-(1-aminocyclopentyl)-3-chloro-6-methoxyphenyl]acetamide
CID 117454668

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine (CID 117327759) is 1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine is COc1ccc(Cl)c(OC)c1C1(N)CC1.
What is the InChIKey of 1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine?
The InChIKey is HEGAGQSOKVZDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-14-8-4-3-7(12)10(15-2)9(8)11(13)5-6-11/h3-4H,5-6,13H2,1-2H3.
What are the key properties of 1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine?
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine has a molecular weight of 227.69 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 117327759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).