3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine

C16H16BrF2N — CID 71182610

IUPAC3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(Br)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16BrF2N/c1-20-9-8-14(11-2-5-13(17)6-3-11)12-4-7-15(18)16(19)10-12/h2-7,10,14,20H,8-9H2,1H3
InChIKeyQVAFKRKKDZJMON-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.47
Rot. Bonds5

About 3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine

3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine (PubChem CID 71182610) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine
PubChem CID71182610
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine
SMILESCNCCC(c1ccc(Br)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16BrF2N/c1-20-9-8-14(11-2-5-13(17)6-3-11)12-4-7-15(18)16(19)10-12/h2-7,10,14,20H,8-9H2,1H3
InChIKeyQVAFKRKKDZJMON-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-4-(methylamino)butane-1,2-diol
CID 171889799
1-(4-bromophenyl)-1-(3,4-difluorophenyl)pentan-3-one
CID 58302963
4-[(1R)-4-bromo-1-(3,4-difluorophenyl)butyl]-1,2-dimethylbenzene
CID 125465627
4-[bromo-(4-bromophenyl)methyl]-1,2-difluorobenzene
CID 55199317
N-methyl-3,3-diphenylpropan-1-amine;hydrochloride
CID 21467371
1-(4-fluoro-3-methylphenyl)-N'-methylpropane-1,3-diamine
CID 116932886
1-bromo-4-[1-(4-bromophenyl)pentyl]benzene
CID 154634126
1-(5-bromo-2-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933922
1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 116932454
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546
1-(3,4-difluorophenyl)-N-methylpropane-1,3-diamine
CID 116948387
2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine (CID 71182610) is 3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine is CNCCC(c1ccc(Br)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine?
The InChIKey is QVAFKRKKDZJMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-20-9-8-14(11-2-5-13(17)6-3-11)12-4-7-15(18)16(19)10-12/h2-7,10,14,20H,8-9H2,1H3.
What are the key properties of 3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine?
3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine has a molecular weight of 340.21 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-3-(3,4-difluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 71182610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).