3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine

C16H16BrF2N — CID 106943910

IUPAC3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1c(F)ccc(Br)c1F)c1ccccc1
InChIInChI=1S/C16H16BrF2N/c1-20-10-12(11-5-3-2-4-6-11)9-13-15(18)8-7-14(17)16(13)19/h2-8,12,20H,9-10H2,1H3
InChIKeyWEJOQLLYDCJGRP-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.27
Rot. Bonds5

About 3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine

3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine (PubChem CID 106943910) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
PubChem CID106943910
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1c(F)ccc(Br)c1F)c1ccccc1
InChIInChI=1S/C16H16BrF2N/c1-20-10-12(11-5-3-2-4-6-11)9-13-15(18)8-7-14(17)16(13)19/h2-8,12,20H,9-10H2,1H3
InChIKeyWEJOQLLYDCJGRP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-2,6-difluorophenyl)-2-(4-bromophenyl)-N-methylpropan-1-amine
CID 106271674
1-bromo-3-(3-chloro-2-phenylpropyl)-2,4-difluorobenzene
CID 106273769
3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106647002
N-[(3-bromo-2,6-difluorophenyl)methyl]-2-phenylpropan-1-amine
CID 106263718
(1R)-N-[(3-bromo-2,6-difluorophenyl)methyl]-1-phenylethanamine
CID 106263465
3-(2-fluoro-4,6-dimethylphenyl)-N-methyl-2-phenylpropan-1-amine
CID 106882896
3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 114933725
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
1-bromo-3-[2-(4-bromophenyl)-3-chloropropyl]-2,4-difluorobenzene
CID 106273846
1-bromo-3-[3-chloro-2-(3-fluorophenyl)propyl]-2,4-difluorobenzene
CID 106273849
3-(4-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 81024440
1-bromo-3-[3-chloro-2-(3-chlorophenyl)propyl]-2,4-difluorobenzene
CID 106273850

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine (CID 106943910) is 3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine is CNCC(Cc1c(F)ccc(Br)c1F)c1ccccc1.
What is the InChIKey of 3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine?
The InChIKey is WEJOQLLYDCJGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-20-10-12(11-5-3-2-4-6-11)9-13-15(18)8-7-14(17)16(13)19/h2-8,12,20H,9-10H2,1H3.
What are the key properties of 3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine?
3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-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 3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 106943910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).