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

C14H20BrN — CID 115890217

IUPAC(E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H20BrN/c1-3-4-5-9-16-12(2)10-13-7-6-8-14(15)11-13/h3-4,6-8,11-12,16H,5,9-10H2,1-2H3/b4-3+
InChIKeyVUBMYYDWRWSCST-ONEGZZNKSA-N
MW282.23 g/mol
LogP3.94
Rot. Bonds6

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

(E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine (PubChem CID 115890217) has the molecular formula C14H20BrN and a molecular weight of 282.23 g/mol. Its IUPAC name is (E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine
PubChem CID115890217
Molecular FormulaC14H20BrN
Molecular Weight282.23 g/mol
Exact Mass281.08
IUPAC Name(E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine
SMILESC/C=C/CCNC(C)Cc1cccc(Br)c1
InChIInChI=1S/C14H20BrN/c1-3-4-5-9-16-12(2)10-13-7-6-8-14(15)11-13/h3-4,6-8,11-12,16H,5,9-10H2,1-2H3/b4-3+
InChIKeyVUBMYYDWRWSCST-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'}

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Related Compounds

(E)-N-[1-(4-bromophenyl)propan-2-yl]pent-3-en-1-amine
CID 103522298
N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide
CID 125472845
1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine
CID 169435063
2-[1-(3-bromophenyl)propan-2-ylamino]propane-1,3-diol
CID 115724199
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956826
N-[2-(3-bromophenoxy)ethyl]-1-phenylpropan-2-amine
CID 63011429
(E)-N-[(3-bromophenyl)methyl]but-2-en-1-amine
CID 107898843
1-(3-bromophenyl)-N-ethyl-4-methylpentan-2-amine
CID 60819223
2-[1-(3-bromophenyl)propan-2-ylamino]butan-1-ol
CID 115705338
N-[1-(3-bromophenyl)propan-2-yl]cyclopentanamine
CID 82262667
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
(E)-N-[(1S)-1-(3-bromophenyl)ethyl]but-2-en-1-amine
CID 107899131

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine (CID 115890217) is (E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine is C/C=C/CCNC(C)Cc1cccc(Br)c1.
What is the InChIKey of (E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine?
The InChIKey is VUBMYYDWRWSCST-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H20BrN/c1-3-4-5-9-16-12(2)10-13-7-6-8-14(15)11-13/h3-4,6-8,11-12,16H,5,9-10H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[1-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine?
(E)-N-[1-(3-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-(3-bromophenyl)propan-2-yl]pent-3-en-1-amine is sourced from PubChem (CID 115890217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).