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

C13H18BrN — CID 83844709

IUPAC1-(3-bromo-4-cyclopentylphenyl)ethanamine
SMILESCC(N)c1ccc(C2CCCC2)c(Br)c1
InChIInChI=1S/C13H18BrN/c1-9(15)11-6-7-12(13(14)8-11)10-4-2-3-5-10/h6-10H,2-5,15H2,1H3
InChIKeyKDPULLNPLRSTHL-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.13
Rot. Bonds2

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

1-(3-bromo-4-cyclopentylphenyl)ethanamine (PubChem CID 83844709) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is 1-(3-bromo-4-cyclopentylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-cyclopentylphenyl)ethanamine
PubChem CID83844709
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name1-(3-bromo-4-cyclopentylphenyl)ethanamine
SMILESCC(N)c1ccc(C2CCCC2)c(Br)c1
InChIInChI=1S/C13H18BrN/c1-9(15)11-6-7-12(13(14)8-11)10-4-2-3-5-10/h6-10H,2-5,15H2,1H3
InChIKeyKDPULLNPLRSTHL-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-cyclohexylphenyl)ethanamine
CID 117453319
(1R)-1-(3-bromo-4-cyclopentyloxyphenyl)ethanamine
CID 78937703
4-[(1R)-1-aminoethyl]-2-bromo-N-cyclohexyl-N-ethylaniline
CID 78944318
1-(3-bromo-4-methylphenyl)ethanamine
CID 70795886
(2-bromo-4-ethynylphenyl)cycloheptane
CID 54072483
2-bromo-1-cyclohexyl-4-(trifluoromethyl)benzene
CID 117104274
1-(3-bromo-4-iodophenyl)ethanamine
CID 126971704
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
(1S)-1-[3-bromo-4-(2-ethylpiperidin-1-yl)phenyl]ethanamine
CID 63368268
(1S)-1-[3-bromo-4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 78935793
2-cyclohexyl-1-methyl-4-propan-2-ylbenzene;2-cyclopentyl-1-methyl-4-propan-2-ylbenzene
CID 143471865
2-[3-bromo-4-(thiolan-3-yl)phenyl]propan-1-ol
CID 117485319

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-cyclopentylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-cyclopentylphenyl)ethanamine (CID 83844709) is 1-(3-bromo-4-cyclopentylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-cyclopentylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-cyclopentylphenyl)ethanamine is CC(N)c1ccc(C2CCCC2)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-cyclopentylphenyl)ethanamine?
The InChIKey is KDPULLNPLRSTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-9(15)11-6-7-12(13(14)8-11)10-4-2-3-5-10/h6-10H,2-5,15H2,1H3.
What are the key properties of 1-(3-bromo-4-cyclopentylphenyl)ethanamine?
1-(3-bromo-4-cyclopentylphenyl)ethanamine has a molecular weight of 268.20 g/mol, XLogP of 4.13, 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-cyclopentylphenyl)ethanamine is sourced from PubChem (CID 83844709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).