3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine

C11H15BrFN — CID 14372916

IUPAC3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(F)c(Br)c1
InChIInChI=1S/C11H15BrFN/c1-14(2)7-3-4-9-5-6-11(13)10(12)8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyVQURSLFJUIBCMX-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.08
Rot. Bonds4

About 3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine

3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine (PubChem CID 14372916) has the molecular formula C11H15BrFN and a molecular weight of 260.15 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine
PubChem CID14372916
Molecular FormulaC11H15BrFN
Molecular Weight260.15 g/mol
Exact Mass259.04
IUPAC Name3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(F)c(Br)c1
InChIInChI=1S/C11H15BrFN/c1-14(2)7-3-4-9-5-6-11(13)10(12)8-9/h5-6,8H,3-4,7H2,1-2H3
InChIKeyVQURSLFJUIBCMX-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-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

N,N-dimethyl-2-bromophenylethylamine
CID 151465
(S)-3-(3-Bromo-phenyl)-1-propyl-piperidine
CID 10356389
(2-(4-Bromophenyl)ethyl)dimethylamine
CID 10751802
3-bromo-N,N-dimethylBenzeneethanamine
CID 18367548
N,N-dimethyl-2-(2-fluorophenyl)ethylamine
CID 22072908
N-[2-(3-Bromophenyl)ethyl]-N-methylamine
CID 44578545
[2-(3-Bromo-phenyl)-ethyl]-methyl-(2-pyrrolidin-1-yl-ethyl)-amine
CID 10470687
N,N-Dimethyl-2-(3-fluorophenyl)ethylamine
CID 22072874
2-(4-fluorophenyl)-N,N-dimethylethanamine
CID 17809391
Ammonium, (m-bromobenzyl)trimethyl-, bromide
CID 51300
2-(5-Bromo-2-fluorophenyl)ethan-1-amine
CID 18509474
4-(3-Bromophenyl)-1-methyl-1,2,3,6-tetrahydropyridine
CID 189336

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine (CID 14372916) is 3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(F)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine?
The InChIKey is VQURSLFJUIBCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFN/c1-14(2)7-3-4-9-5-6-11(13)10(12)8-9/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine?
3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine has a molecular weight of 260.15 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 14372916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).