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

C14H12F3N — CID 43658821

IUPACN-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2cccc(F)c2F)c1
InChIInChI=1S/C14H12F3N/c15-12-5-1-3-10(7-12)8-18-9-11-4-2-6-13(16)14(11)17/h1-7,18H,8-9H2
InChIKeyCMOTWGSZCOFOCX-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.39
Rot. Bonds4

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

N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine (PubChem CID 43658821) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
PubChem CID43658821
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC NameN-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2cccc(F)c2F)c1
InChIInChI=1S/C14H12F3N/c15-12-5-1-3-10(7-12)8-18-9-11-4-2-6-13(16)14(11)17/h1-7,18H,8-9H2
InChIKeyCMOTWGSZCOFOCX-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(chloromethyl)phenyl]-N-[(2,3-difluorophenyl)methyl]methanamine
CID 65024863
N-[(2,3-difluorophenyl)methyl]-1-phenylmethanamine
CID 43424966
1-(3-fluorophenyl)-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 43432996
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 78981347
1-[(2,3-difluorophenyl)methyl]-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 45227864
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,3-difluorophenyl)methanamine
CID 61301397
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126964694
1-(2,3-difluorophenyl)-3-(3-fluorophenyl)propan-2-ol
CID 55095181
N-[(2,3-difluorophenyl)methyl]-1-(4-nitrophenyl)methanamine
CID 60874828
2-[(3-fluorophenyl)methylamino]acetaldehyde
CID 115222993
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine (CID 43658821) is N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine is Fc1cccc(CNCc2cccc(F)c2F)c1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine?
The InChIKey is CMOTWGSZCOFOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c15-12-5-1-3-10(7-12)8-18-9-11-4-2-6-13(16)14(11)17/h1-7,18H,8-9H2.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine?
N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine has a molecular weight of 251.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine is sourced from PubChem (CID 43658821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).