3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline

C14H14F2N2O — CID 63734475

IUPAC3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline
SMILESNc1ccc(OCCc2ccccn2)c(C(F)F)c1
InChIInChI=1S/C14H14F2N2O/c15-14(16)12-9-10(17)4-5-13(12)19-8-6-11-3-1-2-7-18-11/h1-5,7,9,14H,6,8,17H2
InChIKeyBDZLUKBRDFQEHO-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.22
Rot. Bonds5

About 3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline

3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline (PubChem CID 63734475) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline.

Molecular Properties

Compound Name3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline
PubChem CID63734475
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline
SMILESNc1ccc(OCCc2ccccn2)c(C(F)F)c1
InChIInChI=1S/C14H14F2N2O/c15-14(16)12-9-10(17)4-5-13(12)19-8-6-11-3-1-2-7-18-11/h1-5,7,9,14H,6,8,17H2
InChIKeyBDZLUKBRDFQEHO-UHFFFAOYSA-N
XLogP3.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline 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-(difluoromethyl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-diamine
CID 63750057
3-(difluoromethyl)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587044
5-methyl-2-(2-pyridin-2-ylethoxy)aniline
CID 22046369
4-ethoxy-3-(2-pyridin-2-ylethoxymethyl)aniline
CID 43260203
2-[2-(2-fluorophenoxy)ethyl]pyridine
CID 64765449
1-[5-bromo-2-(2-pyridin-2-ylethoxy)phenyl]ethanol
CID 62378651
2-methyl-6-(2-pyridin-2-ylethoxy)aniline
CID 60892801
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
2-[4-amino-2-(pyridin-2-ylmethylamino)phenoxy]ethanol
CID 22026541
3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline
CID 60892612
4-[2-(2-pyridin-2-ylethoxy)ethoxy]aniline
CID 43366212
3-bromo-4-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82921694

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline?
The IUPAC name of 3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline (CID 63734475) is 3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline.
What is the SMILES notation for 3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline?
The canonical SMILES for 3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline is Nc1ccc(OCCc2ccccn2)c(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline?
The InChIKey is BDZLUKBRDFQEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c15-14(16)12-9-10(17)4-5-13(12)19-8-6-11-3-1-2-7-18-11/h1-5,7,9,14H,6,8,17H2.
What are the key properties of 3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline?
3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline has a molecular weight of 264.28 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-(2-pyridin-2-ylethoxy)aniline is sourced from PubChem (CID 63734475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).