3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide

C12H17FN2O2 — CID 104791725

IUPAC3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCc1cccc(OC)c1F
InChIInChI=1S/C12H17FN2O2/c1-14-11(16)6-7-15-8-9-4-3-5-10(17-2)12(9)13/h3-5,15H,6-8H2,1-2H3,(H,14,16)
InChIKeyCZLJEQADNQGSNR-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.06
Rot. Bonds6

About 3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide

3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide (PubChem CID 104791725) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide
PubChem CID104791725
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)CCNCc1cccc(OC)c1F
InChIInChI=1S/C12H17FN2O2/c1-14-11(16)6-7-15-8-9-4-3-5-10(17-2)12(9)13/h3-5,15H,6-8H2,1-2H3,(H,14,16)
InChIKeyCZLJEQADNQGSNR-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-fluoro-3-methoxyphenyl)methylamino]pentanamide
CID 114162271
3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide
CID 78998463
N-[(2-fluoro-3-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 113453546
4-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methoxybutan-2-ol
CID 114163606
1-[(2-fluoro-3-methoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 104791866
3-[(2,3-difluorophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115618231
N-ethyl-2-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylacetamide
CID 114132777
1-(2-fluoro-3-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104791604
2-cyclopentyl-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791607
4-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 104792773
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
N-(3,4-difluorophenyl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022256

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide (CID 104791725) is 3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide is CNC(=O)CCNCc1cccc(OC)c1F.
What is the InChIKey of 3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide?
The InChIKey is CZLJEQADNQGSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-14-11(16)6-7-15-8-9-4-3-5-10(17-2)12(9)13/h3-5,15H,6-8H2,1-2H3,(H,14,16).
What are the key properties of 3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide?
3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide has a molecular weight of 240.28 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-3-methoxyphenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 104791725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).