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

C12H16ClNO2 — CID 117356551

IUPAC1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccc(Cl)c(C2(N)CCC2)c1OC
InChIInChI=1S/C12H16ClNO2/c1-15-9-5-4-8(13)10(11(9)16-2)12(14)6-3-7-12/h4-5H,3,6-7,14H2,1-2H3
InChIKeyWGLDJRAZGULGDS-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.70
Rot. Bonds3

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

1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine (PubChem CID 117356551) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine
PubChem CID117356551
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine
SMILESCOc1ccc(Cl)c(C2(N)CCC2)c1OC
InChIInChI=1S/C12H16ClNO2/c1-15-9-5-4-8(13)10(11(9)16-2)12(14)6-3-7-12/h4-5H,3,6-7,14H2,1-2H3
InChIKeyWGLDJRAZGULGDS-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-2-cyclopentyloxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117494434
1-(3-chloro-2,6-dimethoxyphenyl)cyclopropan-1-amine
CID 117327759
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
N-[2-(1-aminocyclopentyl)-3-chloro-6-methoxyphenyl]acetamide
CID 117454668
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967
3-(1-aminocyclobutyl)-6-chloro-2-methoxyphenol
CID 117327822
1-(2,6-dimethoxy-3-methylphenyl)cyclopropan-1-amine
CID 84779676
1-(2,6-difluoro-3-methoxyphenyl)cyclobutan-1-amine
CID 117303912
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-(5-chloro-2-methoxyphenyl)cyclobutan-1-amine
CID 43146587

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine?
The IUPAC name of 1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine (CID 117356551) is 1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine is COc1ccc(Cl)c(C2(N)CCC2)c1OC.
What is the InChIKey of 1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine?
The InChIKey is WGLDJRAZGULGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-15-9-5-4-8(13)10(11(9)16-2)12(14)6-3-7-12/h4-5H,3,6-7,14H2,1-2H3.
What are the key properties of 1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine?
1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine has a molecular weight of 241.72 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2,3-dimethoxyphenyl)cyclobutan-1-amine is sourced from PubChem (CID 117356551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).