3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide

C14H22FN3O — CID 106914891

IUPAC3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)Cc1cc(F)cc(CN)c1
InChIInChI=1S/C14H22FN3O/c1-10(14(19)17-2)8-18(3)9-12-4-11(7-16)5-13(15)6-12/h4-6,10H,7-9,16H2,1-3H3,(H,17,19)
InChIKeyWOJZEPQOLDGDLV-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.10
Rot. Bonds6

About 3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide

3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide (PubChem CID 106914891) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide
PubChem CID106914891
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)Cc1cc(F)cc(CN)c1
InChIInChI=1S/C14H22FN3O/c1-10(14(19)17-2)8-18(3)9-12-4-11(7-16)5-13(15)6-12/h4-6,10H,7-9,16H2,1-3H3,(H,17,19)
InChIKeyWOJZEPQOLDGDLV-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Propanamide, 2-methyl-N-(phenylmethyl)-
CID 94895
3-Benzylaminopropionamide
CID 85451
N-(4-fluorobenzyl)pentanamide
CID 1741622
N-[(2-fluorophenyl)methyl]-2,2-dimethylbutanamide
CID 121446730
N-Benzylpropanamide
CID 154917
1-Benzyl-1,4-diazepan-5-one
CID 239726
2-cyano-N-((4-fluorophenyl)methyl)acetamide
CID 4183587
N-{[3-(aminomethyl)phenyl]methyl}acetamide hydrochloride
CID 16090371
Propanamide, N-[[3-(aminomethyl)phenyl]methyl]-3-[[[3-(aminomethyl)phenyl]methyl]amino]-
CID 21116203
3-acetamido-N-[(4-fluorophenyl)methyl]propanamide
CID 2105511
N-benzyl-3-(benzylamino)propanamide
CID 12374770
1-[(3-Methylphenyl)methyl]piperidine-4-carboxamide
CID 783753

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide (CID 106914891) is 3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)Cc1cc(F)cc(CN)c1.
What is the InChIKey of 3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide?
The InChIKey is WOJZEPQOLDGDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10(14(19)17-2)8-18(3)9-12-4-11(7-16)5-13(15)6-12/h4-6,10H,7-9,16H2,1-3H3,(H,17,19).
What are the key properties of 3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide?
3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide has a molecular weight of 267.35 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(aminomethyl)-5-fluorophenyl]methyl-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).