5-(4-bromophenyl)-4-methylpent-3-en-1-amine

C12H16BrN — CID 79592239

IUPAC5-(4-bromophenyl)-4-methylpent-3-en-1-amine
SMILESCC(=CCCN)Cc1ccc(Br)cc1
InChIInChI=1S/C12H16BrN/c1-10(3-2-8-14)9-11-4-6-12(13)7-5-11/h3-7H,2,8-9,14H2,1H3
InChIKeyVCSYKWMKVAIAAB-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.29
Rot. Bonds4

About 5-(4-bromophenyl)-4-methylpent-3-en-1-amine

5-(4-bromophenyl)-4-methylpent-3-en-1-amine (PubChem CID 79592239) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4-methylpent-3-en-1-amine
PubChem CID79592239
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name5-(4-bromophenyl)-4-methylpent-3-en-1-amine
SMILESCC(=CCCN)Cc1ccc(Br)cc1
InChIInChI=1S/C12H16BrN/c1-10(3-2-8-14)9-11-4-6-12(13)7-5-11/h3-7H,2,8-9,14H2,1H3
InChIKeyVCSYKWMKVAIAAB-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.29
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

4-(4-bromophenyl)-3-methylbut-2-ene-1-thiol
CID 57121179
(Z)-5-(3,5-difluorophenyl)-4-methylpent-3-en-1-amine
CID 105411233
5-(3-bromothiophen-2-yl)-4-methylpent-3-en-1-amine
CID 79592689
1-chloro-4-(5-chloro-2-methylpent-2-enyl)benzene
CID 79603110
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095
1-(5-chloro-2-methylpent-2-enyl)-4-ethylbenzene
CID 79603113
4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine
CID 79739323
(Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine
CID 114350051
(E)-4-methylhex-3-en-1-amine
CID 63969892
5-(4-fluorophenyl)-N,4-dimethylpent-3-en-1-amine
CID 79599451
3-[4-(4-bromophenyl)phenyl]but-2-en-1-amine
CID 54185430
6-amino-1-(4-bromophenyl)hexan-2-one
CID 116572013

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(4-bromophenyl)-4-methylpent-3-en-1-amine (CID 79592239) is 5-(4-bromophenyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(4-bromophenyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(4-bromophenyl)-4-methylpent-3-en-1-amine is CC(=CCCN)Cc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-4-methylpent-3-en-1-amine?
The InChIKey is VCSYKWMKVAIAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-10(3-2-8-14)9-11-4-6-12(13)7-5-11/h3-7H,2,8-9,14H2,1H3.
What are the key properties of 5-(4-bromophenyl)-4-methylpent-3-en-1-amine?
5-(4-bromophenyl)-4-methylpent-3-en-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79592239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).