(E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine

C14H20BrN — CID 103522298

IUPAC(E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-3-4-5-10-16-12(2)11-13-6-8-14(15)9-7-13/h3-4,6-9,12,16H,5,10-11H2,1-2H3/b4-3+
InChIKeyCICDLZXLLRJRHC-ONEGZZNKSA-N
MW282.23 g/mol
LogP3.94
Rot. Bonds6

About (E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine

(E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine (PubChem CID 103522298) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is (E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine
PubChem CID103522298
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name(E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN/c1-3-4-5-10-16-12(2)11-13-6-8-14(15)9-7-13/h3-4,6-9,12,16H,5,10-11H2,1-2H3/b4-3+
InChIKeyCICDLZXLLRJRHC-ONEGZZNKSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine
CID 115890217
1-(4-bromophenyl)-N-(3-phenylpropyl)propan-2-amine;hydrochloride
CID 18790284
N-[1-(4-bromophenyl)propan-2-yl]-4-methylsulfanylbutan-1-amine
CID 103087520
1-(4-bromophenyl)-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 103522285
N-[1-(4-bromophenyl)propan-2-yl]-5-methylsulfanylpentan-1-amine
CID 103522476
N-[1-(4-bromophenyl)propan-2-yl]-3-methoxy-3-methylbutan-1-amine
CID 106675197
(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
CID 115890239
N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine
CID 103522481
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 103522112
N-[(2S)-1-(4-bromophenyl)propan-2-yl]methanesulfonamide
CID 94145530
1-(4-bromophenyl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine
CID 103522462

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine (CID 103522298) is (E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine is C/C=C/CCNC(C)Cc1ccc(Br)cc1.
What is the InChIKey of (E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine?
The InChIKey is CICDLZXLLRJRHC-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H20BrN/c1-3-4-5-10-16-12(2)11-13-6-8-14(15)9-7-13/h3-4,6-9,12,16H,5,10-11H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine?
(E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine has a molecular weight of 282.23 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine is sourced from PubChem (CID 103522298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).