3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine

C18H21BrFN — CID 106647005

IUPAC3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cccc(Br)c1F)c1ccccc1
InChIInChI=1S/C18H21BrFN/c1-13(2)21-12-16(14-7-4-3-5-8-14)11-15-9-6-10-17(19)18(15)20/h3-10,13,16,21H,11-12H2,1-2H3
InChIKeyORTURHFSTJCCGB-UHFFFAOYSA-N
MW350.28 g/mol
LogP4.91
Rot. Bonds6

About 3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine

3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine (PubChem CID 106647005) has the molecular formula C18H21BrFN and a molecular weight of 350.28 g/mol. Its IUPAC name is 3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
PubChem CID106647005
Molecular FormulaC18H21BrFN
Molecular Weight350.28 g/mol
Exact Mass349.08
IUPAC Name3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(Cc1cccc(Br)c1F)c1ccccc1
InChIInChI=1S/C18H21BrFN/c1-13(2)21-12-16(14-7-4-3-5-8-14)11-15-9-6-10-17(19)18(15)20/h3-10,13,16,21H,11-12H2,1-2H3
InChIKeyORTURHFSTJCCGB-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.28
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-2-fluorophenyl)-N-methyl-2-phenylpropan-1-amine
CID 106647002
3-(2-bromophenyl)-2-(4-bromophenyl)-N-propan-2-ylpropan-1-amine
CID 79430471
3-(2-bromophenyl)-2-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 79422919
N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 70699698
3-(3-bromofuran-2-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024535
1-(3-bromo-2-fluorophenyl)-N-methylpropan-2-amine
CID 84737397
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-ol
CID 95757294
(2R)-1-(3-bromo-2-fluorophenyl)propan-2-amine
CID 130682344
3-(2,4-dimethylphenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81028590
N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
CID 106646431
1-(3-bromo-2-fluorophenyl)-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 174234166
3-(4-bromo-1-ethylpyrazol-5-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 114667307

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine (CID 106647005) is 3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine is CC(C)NCC(Cc1cccc(Br)c1F)c1ccccc1.
What is the InChIKey of 3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine?
The InChIKey is ORTURHFSTJCCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN/c1-13(2)21-12-16(14-7-4-3-5-8-14)11-15-9-6-10-17(19)18(15)20/h3-10,13,16,21H,11-12H2,1-2H3.
What are the key properties of 3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine?
3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine has a molecular weight of 350.28 g/mol, XLogP of 4.91, 6 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)-2-phenyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 106647005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).