2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol

C13H19FN2O2 — CID 63593939

IUPAC2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol
SMILESCCOc1cc(N(CCO)C2CC2)c(N)cc1F
InChIInChI=1S/C13H19FN2O2/c1-2-18-13-8-12(11(15)7-10(13)14)16(5-6-17)9-3-4-9/h7-9,17H,2-6,15H2,1H3
InChIKeyFPFKJFWIIQWAJB-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.77
Rot. Bonds6

About 2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol

2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol (PubChem CID 63593939) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol.

Molecular Properties

Compound Name2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol
PubChem CID63593939
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol
SMILESCCOc1cc(N(CCO)C2CC2)c(N)cc1F
InChIInChI=1S/C13H19FN2O2/c1-2-18-13-8-12(11(15)7-10(13)14)16(5-6-17)9-3-4-9/h7-9,17H,2-6,15H2,1H3
InChIKeyFPFKJFWIIQWAJB-UHFFFAOYSA-N
XLogP1.77
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Piperazineethanol, alpha-((4-aminophenoxy)methyl)-4-(3-methoxyphenyl)-
CID 99097
2-[3-(1,4-diazepan-1-yl)-5-fluorophenoxy]-N,N-dimethylethanamine
CID 122182203
2-[5-(1,4-diazepan-1-yl)-2,3-difluorophenoxy]-N,N-dimethylethanamine
CID 122182204
2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine
CID 122182208
2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine
CID 122182209
2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine
CID 122182211
4-(2-(Dimethylamino)ethoxy)benzene-1,2-diamine
CID 22167701
4-Morpholino-5-amino veratrole
CID 617236
2-[4-(2-Fluoro-4-propoxyphenyl)piperazin-1-yl]ethanol
CID 20770605
1-[2-Fluoro-4-methoxy-5-(2-methoxyethoxy)phenyl]piperazine
CID 20785273
2-(4-Fluoro-3-piperazin-1-ylphenoxy)ethanol
CID 20785411
2-[4-(2-Fluoro-4,5-dimethoxyphenyl)piperazin-1-yl]ethanol
CID 23540093

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol?
The IUPAC name of 2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol (CID 63593939) is 2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol.
What is the SMILES notation for 2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol?
The canonical SMILES for 2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol is CCOc1cc(N(CCO)C2CC2)c(N)cc1F.
What is the InChIKey of 2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol?
The InChIKey is FPFKJFWIIQWAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-2-18-13-8-12(11(15)7-10(13)14)16(5-6-17)9-3-4-9/h7-9,17H,2-6,15H2,1H3.
What are the key properties of 2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol?
2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol has a molecular weight of 254.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol is sourced from PubChem (CID 63593939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).