1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine

C14H20BrNO — CID 117480335

IUPAC1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
SMILESCOc1c(C2(N)CCCCC2)ccc(C)c1Br
InChIInChI=1S/C14H20BrNO/c1-10-6-7-11(13(17-2)12(10)15)14(16)8-4-3-5-9-14/h6-7H,3-5,8-9,16H2,1-2H3
InChIKeyLYCDOPLPYQQQBG-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.88
Rot. Bonds2

About 1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine

1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine (PubChem CID 117480335) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
PubChem CID117480335
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
SMILESCOc1c(C2(N)CCCCC2)ccc(C)c1Br
InChIInChI=1S/C14H20BrNO/c1-10-6-7-11(13(17-2)12(10)15)14(16)8-4-3-5-9-14/h6-7H,3-5,8-9,16H2,1-2H3
InChIKeyLYCDOPLPYQQQBG-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

1-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
3-(1-aminocyclohexyl)-6-bromo-2-methoxyphenol
CID 117483401
1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117486628
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117347352
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
1-(3,4-dimethoxy-2-methylphenyl)cyclohexan-1-amine
CID 117377333
1-[1-(3-bromo-2-methoxy-4-methylphenyl)cyclopropyl]ethanamine
CID 117457314
1-(2,3,4-trimethoxyphenyl)cyclopentan-1-amine
CID 117381460
6-(1-aminocyclobutyl)-2-methoxy-3-methylphenol
CID 117296195
3-bromo-1-(1-isocyanatocyclopentyl)-2-methoxy-4-methylbenzene
CID 117494887
1-(3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117342967

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine (CID 117480335) is 1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine is COc1c(C2(N)CCCCC2)ccc(C)c1Br.
What is the InChIKey of 1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine?
The InChIKey is LYCDOPLPYQQQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10-6-7-11(13(17-2)12(10)15)14(16)8-4-3-5-9-14/h6-7H,3-5,8-9,16H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine?
1-(3-bromo-2-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-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117480335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).