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

C11H17FN2O — CID 60961049

IUPAC2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
SMILESCNCc1cc(F)ccc1N(C)CCO
InChIInChI=1S/C11H17FN2O/c1-13-8-9-7-10(12)3-4-11(9)14(2)5-6-15/h3-4,7,13,15H,5-6,8H2,1-2H3
InChIKeyOOHNFEKOAHXOAX-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.97
Rot. Bonds5

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

2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol (PubChem CID 60961049) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
PubChem CID60961049
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol
SMILESCNCc1cc(F)ccc1N(C)CCO
InChIInChI=1S/C11H17FN2O/c1-13-8-9-7-10(12)3-4-11(9)14(2)5-6-15/h3-4,7,13,15H,5-6,8H2,1-2H3
InChIKeyOOHNFEKOAHXOAX-UHFFFAOYSA-N
XLogP0.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N'-[4-fluoro-2-(methylaminomethyl)phenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63698685
N-benzyl-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 43313736
5-[2-(ethylaminomethyl)-4-fluoro-N-methylanilino]pentan-1-ol
CID 107201266
4-fluoro-N-methyl-2-(methylaminomethyl)-N-[(2-methylphenyl)methyl]aniline
CID 61411466
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]-N-propan-2-ylacetamide
CID 55005090
N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 61446915
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 54984895
4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418968
4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 43313954
4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 63713648
N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine
CID 102995296
N'-(2,4-difluorophenyl)-N,N'-dimethylethane-1,2-diamine
CID 22052023

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol?
The IUPAC name of 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol (CID 60961049) is 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol.
What is the SMILES notation for 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol?
The canonical SMILES for 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol is CNCc1cc(F)ccc1N(C)CCO.
What is the InChIKey of 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol?
The InChIKey is OOHNFEKOAHXOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-13-8-9-7-10(12)3-4-11(9)14(2)5-6-15/h3-4,7,13,15H,5-6,8H2,1-2H3.
What are the key properties of 2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol?
2-[4-fluoro-N-methyl-2-(methylaminomethyl)anilino]ethanol has a molecular weight of 212.27 g/mol, XLogP of 0.97, 5 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]ethanol is sourced from PubChem (CID 60961049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).