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

C14H20BrNO2 — CID 117499521

IUPAC1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
SMILESCOc1cc(C)c(OC)c(Br)c1C1(N)CCCC1
InChIInChI=1S/C14H20BrNO2/c1-9-8-10(17-2)11(12(15)13(9)18-3)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3
InChIKeyVCHRVLWRAQEBMI-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.50
Rot. Bonds3

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

1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine (PubChem CID 117499521) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
PubChem CID117499521
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
SMILESCOc1cc(C)c(OC)c(Br)c1C1(N)CCCC1
InChIInChI=1S/C14H20BrNO2/c1-9-8-10(17-2)11(12(15)13(9)18-3)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3
InChIKeyVCHRVLWRAQEBMI-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-(2-chloro-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine
CID 117427606
1-(3,4-dimethoxy-2,6-dimethylphenyl)cyclohexan-1-amine
CID 117413656
1-(5-bromo-2-methoxy-3,6-dimethylphenyl)cyclopentan-1-amine
CID 117480650
4-(1-aminocyclohexyl)-3-bromo-2-methoxy-5-methylphenol
CID 117499856
1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117499472
1-(2-bromo-3-methoxy-6-methylphenyl)cyclopentan-1-amine
CID 117457058
1-(2,3-dimethoxy-5,6-dimethylphenyl)cyclopropan-1-amine
CID 117316555
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
2-(1-aminocyclohexyl)-5-methoxy-3,6-dimethylphenol
CID 117377331
1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopentan-1-amine
CID 117386100
1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117483760
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclohexan-1-amine
CID 117456401

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine (CID 117499521) is 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine is COc1cc(C)c(OC)c(Br)c1C1(N)CCCC1.
What is the InChIKey of 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine?
The InChIKey is VCHRVLWRAQEBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-9-8-10(17-2)11(12(15)13(9)18-3)14(16)6-4-5-7-14/h8H,4-7,16H2,1-3H3.
What are the key properties of 1-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine?
1-(2-bromo-3,6-dimethoxy-4-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-(2-bromo-3,6-dimethoxy-4-methylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117499521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).