4-bromo-N-(3-phenylpropyl)butan-1-amine

C13H20BrN — CID 106844820

IUPAC4-bromo-N-(3-phenylpropyl)butan-1-amine
SMILESBrCCCCNCCCc1ccccc1
InChIInChI=1S/C13H20BrN/c14-10-4-5-11-15-12-6-9-13-7-2-1-3-8-13/h1-3,7-8,15H,4-6,9-12H2
InChIKeyWXWCRHFHNCETGH-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.38
Rot. Bonds8

About 4-bromo-N-(3-phenylpropyl)butan-1-amine

4-bromo-N-(3-phenylpropyl)butan-1-amine (PubChem CID 106844820) has the molecular formula C13H20BrN and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-bromo-N-(3-phenylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-bromo-N-(3-phenylpropyl)butan-1-amine
PubChem CID106844820
Molecular FormulaC13H20BrN
Molecular Weight270.21 g/mol
Exact Mass269.08
IUPAC Name4-bromo-N-(3-phenylpropyl)butan-1-amine
SMILESBrCCCCNCCCc1ccccc1
InChIInChI=1S/C13H20BrN/c14-10-4-5-11-15-12-6-9-13-7-2-1-3-8-13/h1-3,7-8,15H,4-6,9-12H2
InChIKeyWXWCRHFHNCETGH-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-3-phenylpropan-1-amine
CID 68743153
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
lithium;4-bromobutylbenzene;hydride
CID 175042628
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
2-(3-phenylpropylamino)ethanol
CID 19012091
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N-(2-chloroethyl)-3-phenylpropan-1-amine;hydrochloride
CID 141396605
N-(4-chlorobutyl)-4-phenylbutan-1-amine
CID 106844243
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N-(chloromethyl)-3-phenylpropan-1-amine
CID 141240015
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-phenylpropyl)butan-1-amine?
The IUPAC name of 4-bromo-N-(3-phenylpropyl)butan-1-amine (CID 106844820) is 4-bromo-N-(3-phenylpropyl)butan-1-amine.
What is the SMILES notation for 4-bromo-N-(3-phenylpropyl)butan-1-amine?
The canonical SMILES for 4-bromo-N-(3-phenylpropyl)butan-1-amine is BrCCCCNCCCc1ccccc1.
What is the InChIKey of 4-bromo-N-(3-phenylpropyl)butan-1-amine?
The InChIKey is WXWCRHFHNCETGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN/c14-10-4-5-11-15-12-6-9-13-7-2-1-3-8-13/h1-3,7-8,15H,4-6,9-12H2.
What are the key properties of 4-bromo-N-(3-phenylpropyl)butan-1-amine?
4-bromo-N-(3-phenylpropyl)butan-1-amine has a molecular weight of 270.21 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-phenylpropyl)butan-1-amine is sourced from PubChem (CID 106844820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).