1-(4-bromophenyl)-3-cyclopentylpropan-1-amine

C14H20BrN — CID 43184859

IUPAC1-(4-bromophenyl)-3-cyclopentylpropan-1-amine
SMILESNC(CCC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c15-13-8-6-12(7-9-13)14(16)10-5-11-3-1-2-4-11/h6-9,11,14H,1-5,10,16H2
InChIKeyJUUCICMTQAPKEV-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-bromophenyl)-3-cyclopentylpropan-1-amine

1-(4-bromophenyl)-3-cyclopentylpropan-1-amine (PubChem CID 43184859) has the molecular formula C14H20BrN and a molecular weight of 282.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-cyclopentylpropan-1-amine
PubChem CID43184859
Molecular FormulaC14H20BrN
Molecular Weight282.22 g/mol
Exact Mass281.08
IUPAC Name1-(4-bromophenyl)-3-cyclopentylpropan-1-amine
SMILESNC(CCC1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c15-13-8-6-12(7-9-13)14(16)10-5-11-3-1-2-4-11/h6-9,11,14H,1-5,10,16H2
InChIKeyJUUCICMTQAPKEV-UHFFFAOYSA-N
XLogP4.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopentyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 43625227
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
3-cyclohexyl-1-phenylpropan-1-amine
CID 43110402
3-cyclopentyl-1-(4-propylphenyl)propan-1-amine
CID 43106075
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 61103011
3-cyclopentyl-1-naphthalen-2-ylpropan-1-amine
CID 115851068
1-amino-2-(4-bromophenyl)-5-cyclohexylpentan-3-ol
CID 65186446
1-(4-bromophenyl)-3-(4-propylpiperidin-1-yl)propan-1-amine
CID 62619615
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
4-cyclopentyl-1-phenylbutan-1-amine
CID 64504653
1-(3-bromo-4-propoxyphenyl)-3-cyclopentylpropan-1-amine
CID 104657835
3-cyclopentyl-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 43197405

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-cyclopentylpropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-3-cyclopentylpropan-1-amine (CID 43184859) is 1-(4-bromophenyl)-3-cyclopentylpropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-cyclopentylpropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-cyclopentylpropan-1-amine is NC(CCC1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-cyclopentylpropan-1-amine?
The InChIKey is JUUCICMTQAPKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN/c15-13-8-6-12(7-9-13)14(16)10-5-11-3-1-2-4-11/h6-9,11,14H,1-5,10,16H2.
What are the key properties of 1-(4-bromophenyl)-3-cyclopentylpropan-1-amine?
1-(4-bromophenyl)-3-cyclopentylpropan-1-amine has a molecular weight of 282.22 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 43184859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).