5-(3-bromophenyl)pent-3-en-1-amine

C11H14BrN — CID 79591544

IUPAC5-(3-bromophenyl)pent-3-en-1-amine
SMILESNCCC=CCc1cccc(Br)c1
InChIInChI=1S/C11H14BrN/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h1-2,4,6-7,9H,3,5,8,13H2
InChIKeyHANGDGMNDJWGPR-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.90
Rot. Bonds4

About 5-(3-bromophenyl)pent-3-en-1-amine

5-(3-bromophenyl)pent-3-en-1-amine (PubChem CID 79591544) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 5-(3-bromophenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)pent-3-en-1-amine
PubChem CID79591544
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name5-(3-bromophenyl)pent-3-en-1-amine
SMILESNCCC=CCc1cccc(Br)c1
InChIInChI=1S/C11H14BrN/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h1-2,4,6-7,9H,3,5,8,13H2
InChIKeyHANGDGMNDJWGPR-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(Z)-3-(3-bromophenyl)-1-phenylprop-1-en-1-amine;phenylmethanamine
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3-[(3-bromophenyl)methyl]but-3-en-1-amine
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1-bromo-3-ethylbenzene;ethane
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(3-bromophenyl)methylazanide;yttrium
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1-chloro-3-(5-chloropent-2-enyl)benzene
CID 79603692
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
1-[(Z)-hex-2-enyl]-3-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)pent-3-en-1-amine?
The IUPAC name of 5-(3-bromophenyl)pent-3-en-1-amine (CID 79591544) is 5-(3-bromophenyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(3-bromophenyl)pent-3-en-1-amine?
The canonical SMILES for 5-(3-bromophenyl)pent-3-en-1-amine is NCCC=CCc1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)pent-3-en-1-amine?
The InChIKey is HANGDGMNDJWGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h1-2,4,6-7,9H,3,5,8,13H2.
What are the key properties of 5-(3-bromophenyl)pent-3-en-1-amine?
5-(3-bromophenyl)pent-3-en-1-amine has a molecular weight of 240.14 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)pent-3-en-1-amine is sourced from PubChem (CID 79591544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).