2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol

C12H18F2N2O — CID 112737492

IUPAC2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol
SMILESCCCN(CCO)c1ccc(C(F)F)cc1N
InChIInChI=1S/C12H18F2N2O/c1-2-5-16(6-7-17)11-4-3-9(12(13)14)8-10(11)15/h3-4,8,12,17H,2,5-7,15H2,1H3
InChIKeyDKYDISCTVUILHD-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.42
Rot. Bonds6

About 2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol

2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol (PubChem CID 112737492) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol.

Molecular Properties

Compound Name2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol
PubChem CID112737492
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol
SMILESCCCN(CCO)c1ccc(C(F)F)cc1N
InChIInChI=1S/C12H18F2N2O/c1-2-5-16(6-7-17)11-4-3-9(12(13)14)8-10(11)15/h3-4,8,12,17H,2,5-7,15H2,1H3
InChIKeyDKYDISCTVUILHD-UHFFFAOYSA-N
XLogP2.42
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol?
The IUPAC name of 2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol (CID 112737492) is 2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol.
What is the SMILES notation for 2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol?
The canonical SMILES for 2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol is CCCN(CCO)c1ccc(C(F)F)cc1N.
What is the InChIKey of 2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol?
The InChIKey is DKYDISCTVUILHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-2-5-16(6-7-17)11-4-3-9(12(13)14)8-10(11)15/h3-4,8,12,17H,2,5-7,15H2,1H3.
What are the key properties of 2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol?
2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol has a molecular weight of 244.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-(difluoromethyl)-N-propylanilino]ethanol is sourced from PubChem (CID 112737492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).