3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine

C17H19BrFN — CID 174497020

IUPAC3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(Br)ccc1-c1ccccc1F
InChIInChI=1S/C17H19BrFN/c1-20(2)11-5-6-13-12-14(18)9-10-15(13)16-7-3-4-8-17(16)19/h3-4,7-10,12H,5-6,11H2,1-2H3
InChIKeyBOAIHFXJNUMTGM-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.75
Rot. Bonds5

About 3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine

3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 174497020) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
PubChem CID174497020
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(Br)ccc1-c1ccccc1F
InChIInChI=1S/C17H19BrFN/c1-20(2)11-5-6-13-12-14(18)9-10-15(13)16-7-3-4-8-17(16)19/h3-4,7-10,12H,5-6,11H2,1-2H3
InChIKeyBOAIHFXJNUMTGM-UHFFFAOYSA-N
XLogP4.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 4-((4-bromophenyl)phenylmethylene)-1-methyl-, hydrochloride
CID 3076342
4-(3-Bromo-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-piperidine
CID 23343659
3,3'-(2,7-Dibromo-9H-fluorene-9,9-diyl)bis(N,N-dimethylpropan-1-amine)
CID 71721491
2-Propen-1-amine, 3-(p-bromophenyl)-N,N-dimethyl-3-phenyl-, hydrochloride
CID 6437583
3-(5,14-dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)-N,N-dimethylpropan-1-amine
CID 90801261
3-(5,12-dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaenylidene)-N,N-dimethylpropan-1-amine
CID 91434989
4-[(4-Bromophenyl)(phenyl)methylene]-1-methylpiperidine
CID 3076343
1-[(2R,3S)-3-(4-bromophenyl)-2-bicyclo[2.2.2]octanyl]-N,N-dimethylmethanamine
CID 44030
3-(4-bromophenyl)-N,N-dimethylpropan-1-amine
CID 10588701
3-Bromo-4-fluoro-N,N-dimethylbenzenepropanamine
CID 14372916
4-Bromo-1-(2-fluorophenyl)-2-methylbenzene
CID 18379584
N-[(3-bromo-5-fluorophenyl)methyl]-1-(4-tert-butylphenyl)-N-methylmethanamine
CID 18509501

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine (CID 174497020) is 3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc(Br)ccc1-c1ccccc1F.
What is the InChIKey of 3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is BOAIHFXJNUMTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-20(2)11-5-6-13-12-14(18)9-10-15(13)16-7-3-4-8-17(16)19/h3-4,7-10,12H,5-6,11H2,1-2H3.
What are the key properties of 3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine?
3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-2-(2-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 174497020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).