2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide

C12H16F2N2O — CID 55034945

IUPAC2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(CN)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O/c1-16(2)12(17)9(7-15)5-8-3-4-10(13)11(14)6-8/h3-4,6,9H,5,7,15H2,1-2H3
InChIKeyKXNZKTKNSGHHTL-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.17
Rot. Bonds4

About 2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide

2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide (PubChem CID 55034945) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide
PubChem CID55034945
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)C(CN)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O/c1-16(2)12(17)9(7-15)5-8-3-4-10(13)11(14)6-8/h3-4,6,9H,5,7,15H2,1-2H3
InChIKeyKXNZKTKNSGHHTL-UHFFFAOYSA-N
XLogP1.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide
CID 62122108
2-(aminomethyl)-3-(3,4-difluorophenyl)-N-propylpropanamide
CID 62081171
2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide
CID 55034895
2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 55034943
2-(aminomethyl)-N,N-dimethyl-3-(2-methylquinolin-6-yl)propanamide
CID 105379042
3-[(3,4-difluorophenyl)methyl]-5-hydroxypentan-2-one
CID 103343871
methyl 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)propanoate
CID 62121590
1-amino-2-[(4-chloro-3-fluorophenyl)methyl]-4,4-dimethylpentan-3-one
CID 59670696
2-(aminomethyl)-N-[2-(3,4-difluorophenyl)ethyl]butanamide
CID 115187053
(2R)-2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-methylpropanamide
CID 124512316
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
CID 62121929
2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide
CID 65230074

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide (CID 55034945) is 2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide is CN(C)C(=O)C(CN)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide?
The InChIKey is KXNZKTKNSGHHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-16(2)12(17)9(7-15)5-8-3-4-10(13)11(14)6-8/h3-4,6,9H,5,7,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide?
2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide has a molecular weight of 242.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 55034945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).