3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine

C17H19BrFN — CID 79436831

IUPAC3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(Br)cc1F)c1ccc(C)cc1
InChIInChI=1S/C17H19BrFN/c1-12-3-5-13(6-4-12)15(11-20-2)9-14-7-8-16(18)10-17(14)19/h3-8,10,15,20H,9,11H2,1-2H3
InChIKeyGVNMNVISYKSUKI-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.44
Rot. Bonds5

About 3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine

3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine (PubChem CID 79436831) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
PubChem CID79436831
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine
SMILESCNCC(Cc1ccc(Br)cc1F)c1ccc(C)cc1
InChIInChI=1S/C17H19BrFN/c1-12-3-5-13(6-4-12)15(11-20-2)9-14-7-8-16(18)10-17(14)19/h3-8,10,15,20H,9,11H2,1-2H3
InChIKeyGVNMNVISYKSUKI-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-1-[3-bromo-2-(4-methylphenyl)propyl]-2-fluorobenzene
CID 79436533
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 55095249
3-(2,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 79430105
2-(4-bromophenyl)-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049778
4-bromo-1-[3-bromo-2-(4-fluorophenyl)propyl]-2-fluorobenzene
CID 79435639
3-(4-bromo-2-fluorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 79438236
3-(4-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 81024440
2-(4-bromo-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 115844396
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177
2-(4-bromophenyl)-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 79442314
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105137243

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine (CID 79436831) is 3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine is CNCC(Cc1ccc(Br)cc1F)c1ccc(C)cc1.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine?
The InChIKey is GVNMNVISYKSUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-12-3-5-13(6-4-12)15(11-20-2)9-14-7-8-16(18)10-17(14)19/h3-8,10,15,20H,9,11H2,1-2H3.
What are the key properties of 3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine?
3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 79436831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).