1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine

C14H20BrN — CID 115847235

IUPAC1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
SMILESCc1cc(Br)ccc1C(N)CC1CCCC1
InChIInChI=1S/C14H20BrN/c1-10-8-12(15)6-7-13(10)14(16)9-11-4-2-3-5-11/h6-8,11,14H,2-5,9,16H2,1H3
InChIKeyZIFNCNYCVAJPIX-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.34
Rot. Bonds3

About 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine

1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine (PubChem CID 115847235) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
PubChem CID115847235
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine
SMILESCc1cc(Br)ccc1C(N)CC1CCCC1
InChIInChI=1S/C14H20BrN/c1-10-8-12(15)6-7-13(10)14(16)9-11-4-2-3-5-11/h6-8,11,14H,2-5,9,16H2,1H3
InChIKeyZIFNCNYCVAJPIX-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-cyclohexylethanamine
CID 115842257
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanol
CID 115789681
(1S)-1-(5-bromo-2-methylphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171223427
2-cyclohexyl-1-(2,5-dibromo-4-methylphenyl)ethanamine
CID 81473835
(1S)-1-(4-chloro-2-methylphenyl)-2-cyclopropylethanamine
CID 131029260
2-cyclohexyl-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515963
(4-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanol
CID 115808444
1-(4-bromo-2-methylphenyl)-1-cyclohexyl-N-methylmethanamine
CID 114980955
2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
CID 138109643
(4-bromo-2-methylphenyl)-(4-methylcyclohexyl)methanamine
CID 104987996
2-cyclopentyl-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299332

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine (CID 115847235) is 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine is Cc1cc(Br)ccc1C(N)CC1CCCC1.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine?
The InChIKey is ZIFNCNYCVAJPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c1-10-8-12(15)6-7-13(10)14(16)9-11-4-2-3-5-11/h6-8,11,14H,2-5,9,16H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine?
1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine has a molecular weight of 282.22 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-cyclopentylethanamine is sourced from PubChem (CID 115847235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).