4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine

C13H17BrFN — CID 64505589

IUPAC4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine
SMILESNC(CCCc1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C13H17BrFN/c14-12-7-6-11(15)8-10(12)2-1-3-13(16)9-4-5-9/h6-9,13H,1-5,16H2
InChIKeyLXVGZTIXKBZXKJ-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.65
Rot. Bonds5

About 4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine

4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine (PubChem CID 64505589) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine.

Molecular Properties

Compound Name4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine
PubChem CID64505589
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine
SMILESNC(CCCc1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C13H17BrFN/c14-12-7-6-11(15)8-10(12)2-1-3-13(16)9-4-5-9/h6-9,13H,1-5,16H2
InChIKeyLXVGZTIXKBZXKJ-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-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

1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene
CID 64506873
4-amino-1-(2-bromo-5-fluorophenyl)-4-cyclopropylbutan-2-one
CID 116608732
1-(2-bromo-5-fluorophenyl)heptan-4-ol
CID 64516046
3-(2-chloro-5-fluorophenyl)-1-cyclopentylpropan-1-amine
CID 102616772
2-(2-bromo-5-fluorophenyl)-1-(oxolan-3-yl)ethanamine
CID 65330516
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine
CID 116721854
(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
CID 71743656
1-bromo-4-fluoro-2-(2-iodoethyl)benzene
CID 129177229
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
3-(2-bromo-5-fluorophenyl)propanenitrile
CID 53434281
O-[2-(2-bromo-5-fluorophenyl)ethyl]hydroxylamine
CID 117339724
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347649

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine?
The IUPAC name of 4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine (CID 64505589) is 4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine.
What is the SMILES notation for 4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine?
The canonical SMILES for 4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine is NC(CCCc1cc(F)ccc1Br)C1CC1.
What is the InChIKey of 4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine?
The InChIKey is LXVGZTIXKBZXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c14-12-7-6-11(15)8-10(12)2-1-3-13(16)9-4-5-9/h6-9,13H,1-5,16H2.
What are the key properties of 4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine?
4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine has a molecular weight of 286.19 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine is sourced from PubChem (CID 64505589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).