3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine

C17H26BrN — CID 82932863

IUPAC3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C17H26BrN/c1-2-11-19-13-16(15-5-3-4-6-15)12-14-7-9-17(18)10-8-14/h7-10,15-16,19H,2-6,11-13H2,1H3
InChIKeyCPWIJTCOVQUNGF-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.80
Rot. Bonds7

About 3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine

3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine (PubChem CID 82932863) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
PubChem CID82932863
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC Name3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C17H26BrN/c1-2-11-19-13-16(15-5-3-4-6-15)12-14-7-9-17(18)10-8-14/h7-10,15-16,19H,2-6,11-13H2,1H3
InChIKeyCPWIJTCOVQUNGF-UHFFFAOYSA-N
XLogP4.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
CID 82932711
3-(4-bromophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 82933194
3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 104810963
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 112569956
N-[3-(4-bromophenyl)-2-cyclopropylpropyl]cyclopropanamine
CID 104819277
3-(4-bromophenyl)-2-methyl-N-propylpropan-1-amine
CID 62531086
3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82934267
2-cyclopentyl-3-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 82933866
2-cyclopentyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)propan-1-amine
CID 82934194
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 82933905

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine (CID 82932863) is 3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine is CCCNCC(Cc1ccc(Br)cc1)C1CCCC1.
What is the InChIKey of 3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine?
The InChIKey is CPWIJTCOVQUNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-2-11-19-13-16(15-5-3-4-6-15)12-14-7-9-17(18)10-8-14/h7-10,15-16,19H,2-6,11-13H2,1H3.
What are the key properties of 3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine?
3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine has a molecular weight of 324.31 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine is sourced from PubChem (CID 82932863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).