2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide

C13H19FN2O — CID 62122108

IUPAC2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide
SMILESCc1cc(CC(CN)C(=O)N(C)C)ccc1F
InChIInChI=1S/C13H19FN2O/c1-9-6-10(4-5-12(9)14)7-11(8-15)13(17)16(2)3/h4-6,11H,7-8,15H2,1-3H3
InChIKeyIWGHPCHOJYPURB-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.34
Rot. Bonds4

About 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide

2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide (PubChem CID 62122108) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide
PubChem CID62122108
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide
SMILESCc1cc(CC(CN)C(=O)N(C)C)ccc1F
InChIInChI=1S/C13H19FN2O/c1-9-6-10(4-5-12(9)14)7-11(8-15)13(17)16(2)3/h4-6,11H,7-8,15H2,1-3H3
InChIKeyIWGHPCHOJYPURB-UHFFFAOYSA-N
XLogP1.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-(3,4-difluorophenyl)-N,N-dimethylpropanamide
CID 55034945
methyl 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)propanoate
CID 62121590
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
CID 62121929
2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide
CID 115187012
2-(aminomethyl)-N,N-dimethyl-3-(2-methylquinolin-6-yl)propanamide
CID 105379042
2-(aminomethyl)-3-(4-tert-butylphenyl)-N,N-dimethylpropanamide
CID 55034895
2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide
CID 115187558
2-(aminomethyl)-N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 55034943
2-[(4-fluoro-3-methylphenyl)methyl]propanedioic acid
CID 170895434
2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
CID 115186879
2-(aminomethyl)-N,N-dimethyl-3-(2-methylphenyl)propanamide
CID 62081363
(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 162344184

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide (CID 62122108) is 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide is Cc1cc(CC(CN)C(=O)N(C)C)ccc1F.
What is the InChIKey of 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide?
The InChIKey is IWGHPCHOJYPURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-6-10(4-5-12(9)14)7-11(8-15)13(17)16(2)3/h4-6,11H,7-8,15H2,1-3H3.
What are the key properties of 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide?
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide has a molecular weight of 238.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 62122108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).