2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide

C14H22FN3O — CID 55005090

IUPAC2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
SMILESCNCc1cc(F)ccc1N(C)CC(=O)NC(C)C
InChIInChI=1S/C14H22FN3O/c1-10(2)17-14(19)9-18(4)13-6-5-12(15)7-11(13)8-16-3/h5-7,10,16H,8-9H2,1-4H3,(H,17,19)
InChIKeyJPWOUFWTVRENJB-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.51
Rot. Bonds6

About 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide

2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide (PubChem CID 55005090) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
PubChem CID55005090
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
SMILESCNCc1cc(F)ccc1N(C)CC(=O)NC(C)C
InChIInChI=1S/C14H22FN3O/c1-10(2)17-14(19)9-18(4)13-6-5-12(15)7-11(13)8-16-3/h5-7,10,16H,8-9H2,1-4H3,(H,17,19)
InChIKeyJPWOUFWTVRENJB-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide 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

2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide
CID 63060924
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
CID 60961049
2-[4-chloro-2-(ethylaminomethyl)-N-methylanilino]-N-propan-2-ylacetamide
CID 114850041
N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
2-(4-cyano-2-fluoro-N-methylanilino)-N-propan-2-ylacetamide
CID 55005001
2-[2-fluoro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propan-2-ylacetamide
CID 78940649
2-(4-amino-N,2-dimethylanilino)-N-propan-2-ylacetamide
CID 55005109
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736
N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 61446915
2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid
CID 145054676
2-[N-ethyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 54985902
4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
CID 61411466

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide (CID 55005090) is 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide is CNCc1cc(F)ccc1N(C)CC(=O)NC(C)C.
What is the InChIKey of 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide?
The InChIKey is JPWOUFWTVRENJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-10(2)17-14(19)9-18(4)13-6-5-12(15)7-11(13)8-16-3/h5-7,10,16H,8-9H2,1-4H3,(H,17,19).
What are the key properties of 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide?
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide has a molecular weight of 267.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55005090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).