4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol

C17H19F2NO2 — CID 83975161

IUPAC4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol
SMILESCCOc1cc(CC(CN)c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C17H19F2NO2/c1-2-22-17-8-11(3-6-16(17)21)7-12(10-20)14-5-4-13(18)9-15(14)19/h3-6,8-9,12,21H,2,7,10,20H2,1H3
InChIKeySMDLHKFYWASXJI-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.35
Rot. Bonds6

About 4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol

4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol (PubChem CID 83975161) has the molecular formula C17H19F2NO2 and a molecular weight of 307.34 g/mol. Its IUPAC name is 4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol
PubChem CID83975161
Molecular FormulaC17H19F2NO2
Molecular Weight307.34 g/mol
Exact Mass307.14
IUPAC Name4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol
SMILESCCOc1cc(CC(CN)c2ccc(F)cc2F)ccc1O
InChIInChI=1S/C17H19F2NO2/c1-2-22-17-8-11(3-6-16(17)21)7-12(10-20)14-5-4-13(18)9-15(14)19/h3-6,8-9,12,21H,2,7,10,20H2,1H3
InChIKeySMDLHKFYWASXJI-UHFFFAOYSA-N
XLogP3.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol 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-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 83975158
2-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)propan-1-amine
CID 83975169
4-(3-amino-2-pyridin-2-ylpropyl)-2-ethoxyphenol
CID 83975818
3-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)propan-1-amine
CID 83975162
2-(2,4-difluorophenyl)-3-(4-hexoxyphenyl)propan-1-amine
CID 112539034
2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83973179
2-(2-ethoxy-5-fluorophenyl)-3-(4-ethoxyphenyl)propan-1-amine
CID 83974772
4-[3-amino-2-(2-methoxyphenyl)propyl]-2-methoxyphenol
CID 83974353
2-(2-ethoxy-4,5-dimethylphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83974935
4-[3-amino-2-(1,3-benzodioxol-5-yl)propyl]-2-ethoxyphenol
CID 83973932
4-[3-amino-2-(1-methylbenzimidazol-2-yl)propyl]-2-ethoxyphenol
CID 83976122
4-[(3S)-3-aminobutyl]-2-ethoxyphenol
CID 94920449

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol?
The IUPAC name of 4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol (CID 83975161) is 4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol?
The canonical SMILES for 4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol is CCOc1cc(CC(CN)c2ccc(F)cc2F)ccc1O.
What is the InChIKey of 4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol?
The InChIKey is SMDLHKFYWASXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2/c1-2-22-17-8-11(3-6-16(17)21)7-12(10-20)14-5-4-13(18)9-15(14)19/h3-6,8-9,12,21H,2,7,10,20H2,1H3.
What are the key properties of 4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol?
4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol has a molecular weight of 307.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(2,4-difluorophenyl)propyl]-2-ethoxyphenol is sourced from PubChem (CID 83975161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).