2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine

C16H16BrF2N — CID 79443064

IUPAC2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cc(F)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C16H16BrF2N/c1-20-10-13(11-3-2-4-14(17)8-11)7-12-9-15(18)5-6-16(12)19/h2-6,8-9,13,20H,7,10H2,1H3
InChIKeyHNWFIPKGIQJKEC-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.27
Rot. Bonds5

About 2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine

2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine (PubChem CID 79443064) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
PubChem CID79443064
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1cc(F)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C16H16BrF2N/c1-20-10-13(11-3-2-4-14(17)8-11)7-12-9-15(18)5-6-16(12)19/h2-6,8-9,13,20H,7,10H2,1H3
InChIKeyHNWFIPKGIQJKEC-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-ethylpropan-1-amine
CID 79430252
2-[(3-bromophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516635
2-(4-chlorophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 79441418
3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416745
4-bromo-2-[2-(3-bromophenyl)-3-chloropropyl]-1-fluorobenzene
CID 79431234
2-(3-bromophenyl)-3-(4-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114858847
(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 81381728
2-(3-bromophenyl)-N'-methylpropane-1,3-diamine
CID 20546518
2-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049778
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 103049776
2-(3-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79443251

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine (CID 79443064) is 2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine is CNCC(Cc1cc(F)ccc1F)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine?
The InChIKey is HNWFIPKGIQJKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-20-10-13(11-3-2-4-14(17)8-11)7-12-9-15(18)5-6-16(12)19/h2-6,8-9,13,20H,7,10H2,1H3.
What are the key properties of 2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine?
2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine has a molecular weight of 340.21 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-3-(2,5-difluorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 79443064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).