1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine

C14H12BrF2N — CID 28582593

IUPAC1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCc2ccccc2F)c(Br)c1
InChIInChI=1S/C14H12BrF2N/c15-13-7-12(16)6-5-10(13)8-18-9-11-3-1-2-4-14(11)17/h1-7,18H,8-9H2
InChIKeyHOKJDSXINNZRND-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.02
Rot. Bonds4

About 1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine

1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine (PubChem CID 28582593) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine
PubChem CID28582593
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine
SMILESFc1ccc(CNCc2ccccc2F)c(Br)c1
InChIInChI=1S/C14H12BrF2N/c15-13-7-12(16)6-5-10(13)8-18-9-11-3-1-2-4-14(11)17/h1-7,18H,8-9H2
InChIKeyHOKJDSXINNZRND-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
CID 112731308
1-(1,3-benzodioxol-4-yl)-N-[(2-bromo-4-fluorophenyl)methyl]methanamine
CID 61210593
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404
N-[(2-bromo-4-fluorophenyl)methyl]-1-[4-(chloromethyl)phenyl]methanamine
CID 107232978
[3-[[(2-bromo-4-fluorophenyl)methylamino]methyl]phenyl]methanol
CID 103792992
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
N-[(2-bromo-4-fluorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 29040115
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 103792327
N-[(2-bromo-4-fluorophenyl)methyl]pentan-1-amine
CID 28569077
N-[(2-bromo-4-fluorophenyl)methyl]-2-methylaniline
CID 28585998

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine (CID 28582593) is 1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine is Fc1ccc(CNCc2ccccc2F)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine?
The InChIKey is HOKJDSXINNZRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c15-13-7-12(16)6-5-10(13)8-18-9-11-3-1-2-4-14(11)17/h1-7,18H,8-9H2.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine?
1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine has a molecular weight of 312.16 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-N-[(2-fluorophenyl)methyl]methanamine is sourced from PubChem (CID 28582593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).