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

C16H17BrFN — CID 106647002

IUPAC3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1cccc(Br)c1F)c1ccccc1
InChIInChI=1S/C16H17BrFN/c1-19-11-14(12-6-3-2-4-7-12)10-13-8-5-9-15(17)16(13)18/h2-9,14,19H,10-11H2,1H3
InChIKeyFEEDPPPUNFPPIZ-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.13
Rot. Bonds5

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

3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine (PubChem CID 106647002) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
PubChem CID106647002
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
SMILESCNCC(Cc1cccc(Br)c1F)c1ccccc1
InChIInChI=1S/C16H17BrFN/c1-19-11-14(12-6-3-2-4-7-12)10-13-8-5-9-15(17)16(13)18/h2-9,14,19H,10-11H2,1H3
InChIKeyFEEDPPPUNFPPIZ-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 106647005
3-(3-bromo-2,6-difluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106943910
4-(2-bromophenyl)-N-methyl-2-phenylbutan-1-amine
CID 81024067
3-(2-bromophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416750
2-(2-bromophenyl)-3-(2-fluoro-3-methoxyphenyl)-N-methylpropan-1-amine
CID 104794735
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
3-(5-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 103049752
3-(2,3-difluorophenyl)-2-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79439526
N-methyl-2-phenyl-3-quinolin-8-ylpropan-1-amine
CID 81228441
3-(2-bromo-5-fluorophenyl)-N-methyl-2-(3-methylphenyl)propan-1-amine
CID 79416745
3-(4-chloro-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 81024440
2-(4-chlorophenyl)-3-(2-fluorophenyl)-N-methylpropan-1-amine
CID 79442386

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine?
The IUPAC name of 3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine (CID 106647002) is 3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine is CNCC(Cc1cccc(Br)c1F)c1ccccc1.
What is the InChIKey of 3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine?
The InChIKey is FEEDPPPUNFPPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-19-11-14(12-6-3-2-4-7-12)10-13-8-5-9-15(17)16(13)18/h2-9,14,19H,10-11H2,1H3.
What are the key properties of 3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine?
3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine has a molecular weight of 322.22 g/mol, XLogP of 4.13, 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-fluorophenyl)-N-methyl-2-phenylpropan-1-amine is sourced from PubChem (CID 106647002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).