1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine

C17H19BrFN — CID 106647998

IUPAC1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1cccc(Br)c1F
InChIInChI=1S/C17H19BrFN/c1-3-13(12-8-5-4-6-9-12)17(20-2)14-10-7-11-15(18)16(14)19/h4-11,13,17,20H,3H2,1-2H3
InChIKeyZUEHCJGNZOPBFP-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.04
Rot. Bonds5

About 1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine

1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine (PubChem CID 106647998) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
PubChem CID106647998
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
SMILESCCC(c1ccccc1)C(NC)c1cccc(Br)c1F
InChIInChI=1S/C17H19BrFN/c1-3-13(12-8-5-4-6-9-12)17(20-2)14-10-7-11-15(18)16(14)19/h4-11,13,17,20H,3H2,1-2H3
InChIKeyZUEHCJGNZOPBFP-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-methyl-2-phenylbutan-1-amine
CID 43481338
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylbutan-1-amine
CID 43485711
1-(3-bromothiophen-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 80534954
N-methyl-2-phenyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43483247
1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine
CID 105016444
1-(3-bromo-2-fluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 107953458
1-(3-bromo-2-fluorophenyl)-N-methylheptan-1-amine
CID 106648270
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105054099
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
(2R)-2-(3-bromo-2-fluorophenyl)-2-(methylamino)ethanol
CID 131031091
N-[(3-bromo-2-fluorophenyl)-(2-bromophenyl)methyl]propan-1-amine
CID 106645447
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105042151

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine?
The IUPAC name of 1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine (CID 106647998) is 1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine?
The canonical SMILES for 1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine is CCC(c1ccccc1)C(NC)c1cccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine?
The InChIKey is ZUEHCJGNZOPBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-3-13(12-8-5-4-6-9-12)17(20-2)14-10-7-11-15(18)16(14)19/h4-11,13,17,20H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine?
1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine has a molecular weight of 336.25 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 106647998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).