2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one

C12H15F2NO — CID 116574642

IUPAC2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO/c1-2-3-8(7-15)12(16)9-4-10(13)6-11(14)5-9/h4-6,8H,2-3,7,15H2,1H3
InChIKeyIZDMAAQUHGHEBX-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.52
Rot. Bonds5

About 2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one

2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one (PubChem CID 116574642) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one
PubChem CID116574642
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one
SMILESCCCC(CN)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO/c1-2-3-8(7-15)12(16)9-4-10(13)6-11(14)5-9/h4-6,8H,2-3,7,15H2,1H3
InChIKeyIZDMAAQUHGHEBX-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one
CID 116574550
2-(aminomethyl)-1-(4-methoxyphenyl)pentan-1-one
CID 116574552
2-(aminomethyl)-1-(2-fluoro-4,6-dimethylphenyl)pentan-1-one
CID 106883040
2-(aminomethyl)-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 116574532
3-(aminomethyl)-1-(5-fluoro-2-methylphenyl)hexan-2-one
CID 105376591
N-(2-aminopentyl)-3,5-difluorobenzamide
CID 115737672
2-(aminomethyl)-1-(3-propan-2-yloxyphenyl)pentan-1-one
CID 116574589
3-(aminomethyl)-1-(2-chloro-4-fluorophenyl)hexan-2-one
CID 116574566
2-(aminomethyl)-1-(6-methyl-3-pyridinyl)pentan-1-one
CID 116574417
(2S)-2-amino-1-(3,5-difluorophenyl)propan-1-one
CID 141396004
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
CID 107528482
1-(3-fluoro-4-methylphenyl)-2-propylpentan-1-one
CID 107129986

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one (CID 116574642) is 2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one is CCCC(CN)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one?
The InChIKey is IZDMAAQUHGHEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-2-3-8(7-15)12(16)9-4-10(13)6-11(14)5-9/h4-6,8H,2-3,7,15H2,1H3.
What are the key properties of 2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one?
2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one has a molecular weight of 227.25 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3,5-difluorophenyl)pentan-1-one is sourced from PubChem (CID 116574642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).