1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine

C14H20BrNO — CID 117480325

IUPAC1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
SMILESCOc1cc(C2(N)CCCCC2)c(Br)cc1C
InChIInChI=1S/C14H20BrNO/c1-10-8-12(15)11(9-13(10)17-2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeySFBHCLSTUXXZQW-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.88
Rot. Bonds2

About 1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine

1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine (PubChem CID 117480325) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
PubChem CID117480325
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine
SMILESCOc1cc(C2(N)CCCCC2)c(Br)cc1C
InChIInChI=1S/C14H20BrNO/c1-10-8-12(15)11(9-13(10)17-2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeySFBHCLSTUXXZQW-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
1-(4-bromo-2-methoxyphenyl)cyclohexan-1-amine
CID 117457081
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84789200
1-(4-chloro-5-methoxy-2-methylphenyl)cyclopentan-1-amine
CID 84800208
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine
CID 117426783
1-(3-methoxy-4-methylphenyl)cycloheptan-1-amine
CID 43146596
1-(2-bromo-3-methoxy-6-methylphenyl)cyclopentan-1-amine
CID 117457058
1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclobutan-1-amine
CID 117343241
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117499870

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine (CID 117480325) is 1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine is COc1cc(C2(N)CCCCC2)c(Br)cc1C.
What is the InChIKey of 1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine?
The InChIKey is SFBHCLSTUXXZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-8-12(15)11(9-13(10)17-2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine?
1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxy-4-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117480325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).