1-(3-bromo-4-cyclohexylphenyl)ethanamine

C14H20BrN — CID 117453319

IUPAC1-(3-bromo-4-cyclohexylphenyl)ethanamine
SMILESCC(N)c1ccc(C2CCCCC2)c(Br)c1
InChIInChI=1S/C14H20BrN/c1-10(16)12-7-8-13(14(15)9-12)11-5-3-2-4-6-11/h7-11H,2-6,16H2,1H3
InChIKeyORVQZCDUWZQKNS-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.52
Rot. Bonds2

About 1-(3-bromo-4-cyclohexylphenyl)ethanamine

1-(3-bromo-4-cyclohexylphenyl)ethanamine (PubChem CID 117453319) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-(3-bromo-4-cyclohexylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-cyclohexylphenyl)ethanamine
PubChem CID117453319
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-(3-bromo-4-cyclohexylphenyl)ethanamine
SMILESCC(N)c1ccc(C2CCCCC2)c(Br)c1
InChIInChI=1S/C14H20BrN/c1-10(16)12-7-8-13(14(15)9-12)11-5-3-2-4-6-11/h7-11H,2-6,16H2,1H3
InChIKeyORVQZCDUWZQKNS-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-cyclohexylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-cyclohexylphenyl)ethanamine (CID 117453319) is 1-(3-bromo-4-cyclohexylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-cyclohexylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-cyclohexylphenyl)ethanamine is CC(N)c1ccc(C2CCCCC2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-cyclohexylphenyl)ethanamine?
The InChIKey is ORVQZCDUWZQKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10(16)12-7-8-13(14(15)9-12)11-5-3-2-4-6-11/h7-11H,2-6,16H2,1H3.
What are the key properties of 1-(3-bromo-4-cyclohexylphenyl)ethanamine?
1-(3-bromo-4-cyclohexylphenyl)ethanamine has a molecular weight of 282.22 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-cyclohexylphenyl)ethanamine is sourced from PubChem (CID 117453319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).