4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine

C11H13BrFN — CID 79739323

IUPAC4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine
SMILESCC(=CCCN)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFN/c1-8(3-2-6-14)10-7-9(12)4-5-11(10)13/h3-5,7H,2,6,14H2,1H3
InChIKeyNGDHHAYNVNIGBT-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.34
Rot. Bonds3

About 4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine

4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine (PubChem CID 79739323) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine
PubChem CID79739323
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine
SMILESCC(=CCCN)c1cc(Br)ccc1F
InChIInChI=1S/C11H13BrFN/c1-8(3-2-6-14)10-7-9(12)4-5-11(10)13/h3-5,7H,2,6,14H2,1H3
InChIKeyNGDHHAYNVNIGBT-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-fluoro-2-methylphenyl)pent-3-en-1-amine
CID 79590011
5-(4-bromophenyl)-4-methylpent-3-en-1-amine
CID 79592239
2-(aminomethyl)-1-(5-bromo-2-fluorophenyl)-2-ethylbutan-1-one
CID 116603875
4-amino-1-(5-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 116916389
4-amino-1-(5-bromo-2-fluorophenyl)butan-1-one
CID 116553327
ethyl 5-bromo-2-fluorobenzoate
CID 21113016
4-amino-1-(5-bromo-2-fluorophenyl)-3-methylbutan-1-one
CID 116596644
(Z)-5-(4-fluoro-2-methylphenyl)-4-methylpent-3-en-1-amine
CID 114350051
4-(2,5-difluorophenyl)-N-propylpent-3-en-1-amine
CID 79598982
3-(5-bromo-2-phenylphenyl)but-2-en-1-ol
CID 91187120
(E)-4-(3-fluoro-4-methoxyphenyl)pent-3-en-1-amine
CID 63970099
5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 123754109

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine (CID 79739323) is 4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine is CC(=CCCN)c1cc(Br)ccc1F.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine?
The InChIKey is NGDHHAYNVNIGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-8(3-2-6-14)10-7-9(12)4-5-11(10)13/h3-5,7H,2,6,14H2,1H3.
What are the key properties of 4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine?
4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine has a molecular weight of 258.13 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)pent-3-en-1-amine is sourced from PubChem (CID 79739323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).