1-[3-(3-bromopropyl)phenyl]ethenamine

C11H14BrN — CID 70223781

IUPAC1-[3-(3-bromopropyl)phenyl]ethenamine
SMILESC=C(N)c1cccc(CCCBr)c1
InChIInChI=1S/C11H14BrN/c1-9(13)11-6-2-4-10(8-11)5-3-7-12/h2,4,6,8H,1,3,5,7,13H2
InChIKeyZPYNWYWSLIMHNW-UHFFFAOYSA-N
MW240.14 g/mol
LogP2.94
Rot. Bonds4

About 1-[3-(3-bromopropyl)phenyl]ethenamine

1-[3-(3-bromopropyl)phenyl]ethenamine (PubChem CID 70223781) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is 1-[3-(3-bromopropyl)phenyl]ethenamine.

Molecular Properties

Compound Name1-[3-(3-bromopropyl)phenyl]ethenamine
PubChem CID70223781
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name1-[3-(3-bromopropyl)phenyl]ethenamine
SMILESC=C(N)c1cccc(CCCBr)c1
InChIInChI=1S/C11H14BrN/c1-9(13)11-6-2-4-10(8-11)5-3-7-12/h2,4,6,8H,1,3,5,7,13H2
InChIKeyZPYNWYWSLIMHNW-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Methylphenyl)propan-2-amine
CID 13025664
(1Z)-1-phenylbuta-1,3-dien-1-amine
CID 10374575
alpha-(Bromomethyl)benzenemethanamine
CID 12272684
Phenylethyleneamine
CID 18522818
p-Diaminobiphenyl
CID 24815458
Amino-phenylpropene
CID 69723665
1-(4-Fluoro-3-methylphenyl)ethenamine
CID 22980809
1-(2-Fluoro-5-methylphenyl)ethenamine
CID 58593408
1-Fluoro-1-(3-methylphenyl)ethanamine
CID 91079447
[3-(Bromomethyl)-2-fluorophenyl]methanamine
CID 122535915
1-(2-Fluoro-5-propan-2-ylphenyl)ethenamine
CID 132241696
(Z)-1-[3-(2-fluoropropan-2-yl)phenyl]prop-1-en-1-amine
CID 135227356

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-bromopropyl)phenyl]ethenamine?
The IUPAC name of 1-[3-(3-bromopropyl)phenyl]ethenamine (CID 70223781) is 1-[3-(3-bromopropyl)phenyl]ethenamine.
What is the SMILES notation for 1-[3-(3-bromopropyl)phenyl]ethenamine?
The canonical SMILES for 1-[3-(3-bromopropyl)phenyl]ethenamine is C=C(N)c1cccc(CCCBr)c1.
What is the InChIKey of 1-[3-(3-bromopropyl)phenyl]ethenamine?
The InChIKey is ZPYNWYWSLIMHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN/c1-9(13)11-6-2-4-10(8-11)5-3-7-12/h2,4,6,8H,1,3,5,7,13H2.
What are the key properties of 1-[3-(3-bromopropyl)phenyl]ethenamine?
1-[3-(3-bromopropyl)phenyl]ethenamine has a molecular weight of 240.14 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-bromopropyl)phenyl]ethenamine is sourced from PubChem (CID 70223781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).