N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine

C14H11BrF3N — CID 61301397

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
SMILESFc1ccc(Br)cc1CNCc1cccc(F)c1F
InChIInChI=1S/C14H11BrF3N/c15-11-4-5-12(16)10(6-11)8-19-7-9-2-1-3-13(17)14(9)18/h1-6,19H,7-8H2
InChIKeyYMGMEIQYPUUXGB-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.16
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine

N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine (PubChem CID 61301397) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
PubChem CID61301397
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
SMILESFc1ccc(Br)cc1CNCc1cccc(F)c1F
InChIInChI=1S/C14H11BrF3N/c15-11-4-5-12(16)10(6-11)8-19-7-9-2-1-3-13(17)14(9)18/h1-6,19H,7-8H2
InChIKeyYMGMEIQYPUUXGB-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]aniline
CID 66418834
1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 55193888
N-[(5-bromo-2-chlorophenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 103792327
4-bromo-N-[(2,3-difluorophenyl)methyl]-2-fluoroaniline
CID 43658804
1-(5-bromo-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 115839557
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
1-(5-bromo-2-fluorophenyl)-N-(hydrazinylmethyl)methanamine
CID 115260847
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
4-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzene-1,3-diol
CID 61299654
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
CID 65469109

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine (CID 61301397) is N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine is Fc1ccc(Br)cc1CNCc1cccc(F)c1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine?
The InChIKey is YMGMEIQYPUUXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c15-11-4-5-12(16)10(6-11)8-19-7-9-2-1-3-13(17)14(9)18/h1-6,19H,7-8H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine?
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine has a molecular weight of 330.15 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine is sourced from PubChem (CID 61301397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).