N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine

C16H17BrFN — CID 60956826

IUPACN-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1cccc(Br)c1
InChIInChI=1S/C16H17BrFN/c1-12(9-13-5-7-16(18)8-6-13)19-11-14-3-2-4-15(17)10-14/h2-8,10,12,19H,9,11H2,1H3
InChIKeyWCYPKVLEQNEGKS-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.31
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine

N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine (PubChem CID 60956826) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
PubChem CID60956826
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC NameN-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
SMILESCC(Cc1ccc(F)cc1)NCc1cccc(Br)c1
InChIInChI=1S/C16H17BrFN/c1-12(9-13-5-7-16(18)8-6-13)19-11-14-3-2-4-15(17)10-14/h2-8,10,12,19H,9,11H2,1H3
InChIKeyWCYPKVLEQNEGKS-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 55026029
N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 60956706
N-[(4-bromo-3-fluorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 81436061
N-[(3-bromo-5-fluorophenyl)methyl]-1-phenylpropan-2-amine
CID 79710487
N-[(3-bromophenyl)methyl]butan-2-amine
CID 4717076
N-[(3-bromophenyl)methyl]butan-2-amine;hydrochloride
CID 17291404
N-[(3-bromophenyl)methyl]pentan-2-amine
CID 43177710
N-[(3-bromo-4-fluorophenyl)methyl]-1-(4-bromophenyl)propan-2-amine
CID 43695878
(2R)-N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)propan-2-amine
CID 7443154
(3R)-3-[(3-bromophenyl)methylamino]butan-1-ol
CID 103854762
N-[(3-fluoro-4-methylphenyl)methyl]-1-phenylpropan-2-amine
CID 63647039
1-(4-bromophenyl)-N-[(3,5-dichlorophenyl)methyl]propan-2-amine
CID 60789791

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine (CID 60956826) is N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine is CC(Cc1ccc(F)cc1)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
The InChIKey is WCYPKVLEQNEGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-12(9-13-5-7-16(18)8-6-13)19-11-14-3-2-4-15(17)10-14/h2-8,10,12,19H,9,11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine?
N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine has a molecular weight of 322.22 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine is sourced from PubChem (CID 60956826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).