1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine

C14H20BrNO2 — CID 117499472

IUPAC1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
SMILESCOc1cc(Br)c(C2(N)CCCC2)c(C)c1OC
InChIInChI=1S/C14H20BrNO2/c1-9-12(14(16)6-4-5-7-14)10(15)8-11(17-2)13(9)18-3/h8H,4-7,16H2,1-3H3
InChIKeyMHYPXNXRVRBWLU-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.50
Rot. Bonds3

About 1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine

1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine (PubChem CID 117499472) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
PubChem CID117499472
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
SMILESCOc1cc(Br)c(C2(N)CCCC2)c(C)c1OC
InChIInChI=1S/C14H20BrNO2/c1-9-12(14(16)6-4-5-7-14)10(15)8-11(17-2)13(9)18-3/h8H,4-7,16H2,1-3H3
InChIKeyMHYPXNXRVRBWLU-UHFFFAOYSA-N
XLogP3.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
1-[1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopropyl]ethanamine
CID 117499649
1-(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 117499483
1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117499521
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117483760
2-(1-aminocyclobutyl)-4-bromo-6-methoxy-3-methylphenol
CID 117461200
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine (CID 117499472) is 1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine is COc1cc(Br)c(C2(N)CCCC2)c(C)c1OC.
What is the InChIKey of 1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine?
The InChIKey is MHYPXNXRVRBWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9-12(14(16)6-4-5-7-14)10(15)8-11(17-2)13(9)18-3/h8H,4-7,16H2,1-3H3.
What are the key properties of 1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine?
1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine has a molecular weight of 314.22 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117499472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).