1-(3-fluoroanilino)-2-(methylamino)ethanol

C9H13FN2O — CID 69482385

IUPAC1-(3-fluoroanilino)-2-(methylamino)ethanol
SMILESCNCC(O)Nc1cccc(F)c1
InChIInChI=1S/C9H13FN2O/c1-11-6-9(13)12-8-4-2-3-7(10)5-8/h2-5,9,11-13H,6H2,1H3
InChIKeyJKXIEZXCBVWYAG-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.78
Rot. Bonds4

About 1-(3-fluoroanilino)-2-(methylamino)ethanol

1-(3-fluoroanilino)-2-(methylamino)ethanol (PubChem CID 69482385) has the molecular formula C9H13FN2O and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-(3-fluoroanilino)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-fluoroanilino)-2-(methylamino)ethanol
PubChem CID69482385
Molecular FormulaC9H13FN2O
Molecular Weight184.21 g/mol
Exact Mass184.10
IUPAC Name1-(3-fluoroanilino)-2-(methylamino)ethanol
SMILESCNCC(O)Nc1cccc(F)c1
InChIInChI=1S/C9H13FN2O/c1-11-6-9(13)12-8-4-2-3-7(10)5-8/h2-5,9,11-13H,6H2,1H3
InChIKeyJKXIEZXCBVWYAG-UHFFFAOYSA-N
XLogP0.78
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(3-fluoroanilino)-2-(methylamino)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

3-fluoro-N-methylaniline
CID 2759011
N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106060646
N-(dichloromethyl)-3-fluoroaniline
CID 174909266
3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93282117
N-(3-fluorophenyl)-2-[1-(methylamino)propan-2-yloxy]acetamide
CID 62336077
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
3-fluoro-N-methylaniline;molecular hydrogen
CID 143398655
3-cyano-3-(3-fluoroanilino)-N-methylpropanamide
CID 66428420
2-(3-fluorophenoxy)-N-methylpentan-1-amine
CID 83046683
3-ethyl-2-(3-fluoroanilino)pentanoic acid
CID 61319324
N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroanilino)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-fluoroanilino)-2-(methylamino)ethanol (CID 69482385) is 1-(3-fluoroanilino)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-fluoroanilino)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-fluoroanilino)-2-(methylamino)ethanol is CNCC(O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluoroanilino)-2-(methylamino)ethanol?
The InChIKey is JKXIEZXCBVWYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O/c1-11-6-9(13)12-8-4-2-3-7(10)5-8/h2-5,9,11-13H,6H2,1H3.
What are the key properties of 1-(3-fluoroanilino)-2-(methylamino)ethanol?
1-(3-fluoroanilino)-2-(methylamino)ethanol has a molecular weight of 184.21 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroanilino)-2-(methylamino)ethanol is sourced from PubChem (CID 69482385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).