bis[2-(aminomethyl)-4-fluorophenyl]methanone

C15H14F2N2O — CID 67036129

IUPACbis[2-(aminomethyl)-4-fluorophenyl]methanone
SMILESNCc1cc(F)ccc1C(=O)c1ccc(F)cc1CN
InChIInChI=1S/C15H14F2N2O/c16-11-1-3-13(9(5-11)7-18)15(20)14-4-2-12(17)6-10(14)8-19/h1-6H,7-8,18-19H2
InChIKeyIZWGYZCFVSZKBH-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.11
Rot. Bonds4

About bis[2-(aminomethyl)-4-fluorophenyl]methanone

bis[2-(aminomethyl)-4-fluorophenyl]methanone (PubChem CID 67036129) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is bis[2-(aminomethyl)-4-fluorophenyl]methanone.

Molecular Properties

Compound Namebis[2-(aminomethyl)-4-fluorophenyl]methanone
PubChem CID67036129
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namebis[2-(aminomethyl)-4-fluorophenyl]methanone
SMILESNCc1cc(F)ccc1C(=O)c1ccc(F)cc1CN
InChIInChI=1S/C15H14F2N2O/c16-11-1-3-13(9(5-11)7-18)15(20)14-4-2-12(17)6-10(14)8-19/h1-6H,7-8,18-19H2
InChIKeyIZWGYZCFVSZKBH-UHFFFAOYSA-N
XLogP2.11
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-fluorobenzamide
CID 174538436
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
2-(aminomethyl)-5-fluorobenzamide;hydrochloride
CID 173145989
bis[2-[(2-chlorophenyl)methyl]-4-fluorophenyl]methanone
CID 123134509
bis(4-fluoro-2-hydroxyphenyl)methanone
CID 125469613
[2-(aminomethyl)-4-fluorophenyl] acetate
CID 151844429
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 63289211
2-ethyl-4-fluorobenzoic acid
CID 22101376
[4-fluoro-2-(sulfanylmethyl)phenyl]-(4-methylphenyl)methanone
CID 18779874
3-[2-(aminomethyl)-4-fluorophenyl]-2,3-dihydroxypropanoic acid
CID 170823976
2-[2-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)ethanone
CID 116595920
4-[2-(aminomethyl)-5-fluorophenyl]-1,1,1-trifluorobutan-2-one
CID 146204958

Frequently Asked Questions

What is the IUPAC name of bis[2-(aminomethyl)-4-fluorophenyl]methanone?
The IUPAC name of bis[2-(aminomethyl)-4-fluorophenyl]methanone (CID 67036129) is bis[2-(aminomethyl)-4-fluorophenyl]methanone.
What is the SMILES notation for bis[2-(aminomethyl)-4-fluorophenyl]methanone?
The canonical SMILES for bis[2-(aminomethyl)-4-fluorophenyl]methanone is NCc1cc(F)ccc1C(=O)c1ccc(F)cc1CN.
What is the InChIKey of bis[2-(aminomethyl)-4-fluorophenyl]methanone?
The InChIKey is IZWGYZCFVSZKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c16-11-1-3-13(9(5-11)7-18)15(20)14-4-2-12(17)6-10(14)8-19/h1-6H,7-8,18-19H2.
What are the key properties of bis[2-(aminomethyl)-4-fluorophenyl]methanone?
bis[2-(aminomethyl)-4-fluorophenyl]methanone has a molecular weight of 276.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(aminomethyl)-4-fluorophenyl]methanone is sourced from PubChem (CID 67036129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).