N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine

C16H17BrFN — CID 106646431

IUPACN-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1-c1cccc(Br)c1F
InChIInChI=1S/C16H17BrFN/c1-11(2)19-10-12-6-3-4-7-13(12)14-8-5-9-15(17)16(14)18/h3-9,11,19H,10H2,1-2H3
InChIKeyGCHRFUVRUUJRLA-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.75
Rot. Bonds4

About N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine

N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine (PubChem CID 106646431) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
PubChem CID106646431
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC NameN-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1-c1cccc(Br)c1F
InChIInChI=1S/C16H17BrFN/c1-11(2)19-10-12-6-3-4-7-13(12)14-8-5-9-15(17)16(14)18/h3-9,11,19H,10H2,1-2H3
InChIKeyGCHRFUVRUUJRLA-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-2-fluorophenyl)methyl]propan-2-amine
CID 70699698
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160
N-[[4-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
CID 106646381
N-[(2-bromophenyl)methyl]propan-2-amine chloride
CID 19629100
N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine
CID 54910961
2-N-[(3-bromo-2-fluorophenyl)methyl]-3-methylbutane-1,2-diamine
CID 106345422
3-(3-bromo-2-fluorophenyl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 106647005
N-[(2-naphthalen-2-ylphenyl)methyl]propan-2-amine
CID 63424194
N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106882235
N-[[3-bromo-2-(3-fluoropropoxy)phenyl]methyl]propan-2-amine
CID 81105855
N-[(2-quinolin-2-ylphenyl)methyl]propan-2-amine
CID 116645083
N-[[2-[(2-bromophenyl)methoxy]-5-fluorophenyl]methyl]propan-2-amine
CID 107696130

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine (CID 106646431) is N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1-c1cccc(Br)c1F.
What is the InChIKey of N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine?
The InChIKey is GCHRFUVRUUJRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11(2)19-10-12-6-3-4-7-13(12)14-8-5-9-15(17)16(14)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine?
N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine has a molecular weight of 322.22 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 106646431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).