2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone

C15H13F2NO — CID 116595920

IUPAC2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone
SMILESNCc1ccccc1CC(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H13F2NO/c16-12-5-6-14(17)13(8-12)15(19)7-10-3-1-2-4-11(10)9-18/h1-6,8H,7,9,18H2
InChIKeySFKBPOJFYNYPBB-UHFFFAOYSA-N
MW261.27 g/mol
LogP2.85
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone

2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone (PubChem CID 116595920) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone
PubChem CID116595920
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone
SMILESNCc1ccccc1CC(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H13F2NO/c16-12-5-6-14(17)13(8-12)15(19)7-10-3-1-2-4-11(10)9-18/h1-6,8H,7,9,18H2
InChIKeySFKBPOJFYNYPBB-UHFFFAOYSA-N
XLogP2.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-hydroxyphenyl)-2-(2-fluorophenyl)ethanone
CID 53234531
1-(2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 104793432
2-(2,4-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 62802262
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
N-[[2-(aminomethyl)phenyl]methyl]-5-fluoro-2-hydroxybenzamide
CID 115299371
1-(2,4-difluorophenyl)-2-(2-fluorophenyl)ethanone
CID 43337688
2-(2-chlorophenyl)-1-(5-fluoro-2-hydroxyphenyl)ethanone
CID 2778590
2-[[2-(aminomethyl)phenyl]methylamino]-5-fluorobenzamide
CID 63673130
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 62802575
1-[2-(aminomethyl)phenyl]-3-(5-chloro-2-fluorophenyl)propan-2-one
CID 103052423
1-[2-(2-aminoethyl)phenyl]-2-(2-chloro-5-fluorophenyl)ethanone
CID 102622133
N-[2-(aminomethyl)phenyl]-5-fluoro-2-hydroxybenzamide
CID 115299411

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone (CID 116595920) is 2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone is NCc1ccccc1CC(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone?
The InChIKey is SFKBPOJFYNYPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c16-12-5-6-14(17)13(8-12)15(19)7-10-3-1-2-4-11(10)9-18/h1-6,8H,7,9,18H2.
What are the key properties of 2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone?
2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone has a molecular weight of 261.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 116595920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).