N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine

C15H14BrF2N — CID 115523883

IUPACN-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine
SMILESFC(F)c1ccc(CNCc2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrF2N/c16-14-3-1-2-12(8-14)10-19-9-11-4-6-13(7-5-11)15(17)18/h1-8,15,19H,9-10H2
InChIKeyLUZCPVPSOQNLLE-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.68
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine

N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine (PubChem CID 115523883) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine
PubChem CID115523883
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine
SMILESFC(F)c1ccc(CNCc2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrF2N/c16-14-3-1-2-12(8-14)10-19-9-11-4-6-13(7-5-11)15(17)18/h1-8,15,19H,9-10H2
InChIKeyLUZCPVPSOQNLLE-UHFFFAOYSA-N
XLogP4.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 60700066
N-[(3-bromophenyl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103437645
4-[[[3-(difluoromethyl)phenyl]methylamino]methyl]phenol
CID 114331434
1-(3-bromophenyl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
CID 60705124
1-(3-bromophenyl)-N-[(3,5-dimethylphenyl)methyl]methanamine
CID 54984173
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-(3-bromophenyl)methanamine
CID 61401345
1-(3-bromophenyl)-N-(pyrimidin-4-ylmethyl)methanamine
CID 62748377
N-[(3-bromophenyl)methyl]-2-chloropropan-1-amine
CID 65024298
1-(3-bromophenyl)-N-(quinoxalin-6-ylmethyl)methanamine
CID 46344511
N-[(3-bromophenyl)methyl]-2-methylbutan-1-amine
CID 61400861
N-[(3-bromophenyl)methyl]-2-chloro-2-phenylethanamine
CID 65024410
2-[(3-bromophenyl)methylamino]ethanol;hydrochloride
CID 2960455

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine (CID 115523883) is N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine is FC(F)c1ccc(CNCc2cccc(Br)c2)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine?
The InChIKey is LUZCPVPSOQNLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c16-14-3-1-2-12(8-14)10-19-9-11-4-6-13(7-5-11)15(17)18/h1-8,15,19H,9-10H2.
What are the key properties of N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine?
N-[(3-bromophenyl)methyl]-1-[4-(difluoromethyl)phenyl]methanamine has a molecular weight of 326.18 g/mol, XLogP of 4.68, 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-(difluoromethyl)phenyl]methanamine is sourced from PubChem (CID 115523883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).