1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine

C14H20BrNO2 — CID 117499870

IUPAC1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
SMILESCOc1cc(C2(N)CCCCC2)cc(Br)c1OC
InChIInChI=1S/C14H20BrNO2/c1-17-12-9-10(8-11(15)13(12)18-2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeyFFPBVLMUCFXDAD-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.58
Rot. Bonds3

About 1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine

1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine (PubChem CID 117499870) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
PubChem CID117499870
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine
SMILESCOc1cc(C2(N)CCCCC2)cc(Br)c1OC
InChIInChI=1S/C14H20BrNO2/c1-17-12-9-10(8-11(15)13(12)18-2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3
InChIKeyFFPBVLMUCFXDAD-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4,5-dimethoxyphenyl)cyclopentan-1-amine
CID 117483760
1-(3-bromo-4,5-dimethoxyphenyl)cyclopropan-1-amine
CID 84809517
1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine
CID 117499479
1-(3-bromo-4-cyclopropyloxy-5-methoxyphenyl)cyclopropan-1-amine
CID 84815906
1-(4-fluoro-3,5-dimethoxyphenyl)cyclopentan-1-amine
CID 84799752
5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid
CID 117416999
1-(3-methoxy-4,5-dimethylphenyl)cyclohexan-1-amine
CID 117339192
1-(6-bromo-3,4-dimethoxy-2-methylphenyl)cyclopentan-1-amine
CID 117499472
1-(3-bromo-2,5,6-trimethoxyphenyl)cyclopropan-1-amine
CID 117486233
4-(3,4,5-trimethoxyphenyl)oxan-4-amine
CID 82304818
1-(3-chloro-5-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117387617
1-(3-bromo-5-cyclopentyl-4-methoxyphenyl)cyclopropan-1-amine
CID 117495098

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine?
The IUPAC name of 1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine (CID 117499870) is 1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine?
The canonical SMILES for 1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine is COc1cc(C2(N)CCCCC2)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine?
The InChIKey is FFPBVLMUCFXDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-17-12-9-10(8-11(15)13(12)18-2)14(16)6-4-3-5-7-14/h8-9H,3-7,16H2,1-2H3.
What are the key properties of 1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine?
1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine has a molecular weight of 314.22 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4,5-dimethoxyphenyl)cyclohexan-1-amine is sourced from PubChem (CID 117499870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).