4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide

C17H19FN2O — CID 28620365

IUPAC4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN[C@@H](C)c2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-12(15-4-3-5-16(18)10-15)20-11-13-6-8-14(9-7-13)17(21)19-2/h3-10,12,20H,11H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyCEEYQDUYBWVEKX-LBPRGKRZSA-N
MW286.35 g/mol
LogP3.04
Rot. Bonds5

About 4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide

4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide (PubChem CID 28620365) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
PubChem CID28620365
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN[C@@H](C)c2cccc(F)c2)cc1
InChIInChI=1S/C17H19FN2O/c1-12(15-4-3-5-16(18)10-15)20-11-13-6-8-14(9-7-13)17(21)19-2/h3-10,12,20H,11H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyCEEYQDUYBWVEKX-LBPRGKRZSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide 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

methyl 4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoate
CID 28682924
(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28541344
3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzoic acid
CID 103258711
2-fluoro-4-[[1-(3-fluorophenyl)ethylamino]methyl]benzoic acid
CID 106699898
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 43182676
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28682596
4-(chloromethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81364892
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81436844
(1S)-N-[(4-fluoro-3-methylphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365762
4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
CID 81352971

Frequently Asked Questions

What is the IUPAC name of 4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide (CID 28620365) is 4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN[C@@H](C)c2cccc(F)c2)cc1.
What is the InChIKey of 4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide?
The InChIKey is CEEYQDUYBWVEKX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(15-4-3-5-16(18)10-15)20-11-13-6-8-14(9-7-13)17(21)19-2/h3-10,12,20H,11H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide?
4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 28620365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).