2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol

C13H20N2O2 — CID 63675494

IUPAC2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol
SMILESCCOc1cc(N(CCO)C2CC2)ccc1N
InChIInChI=1S/C13H20N2O2/c1-2-17-13-9-11(5-6-12(13)14)15(7-8-16)10-3-4-10/h5-6,9-10,16H,2-4,7-8,14H2,1H3
InChIKeyXZXTYTMVXYYNDQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.63
Rot. Bonds6

About 2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol

2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol (PubChem CID 63675494) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol.

Molecular Properties

Compound Name2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol
PubChem CID63675494
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol
SMILESCCOc1cc(N(CCO)C2CC2)ccc1N
InChIInChI=1S/C13H20N2O2/c1-2-17-13-9-11(5-6-12(13)14)15(7-8-16)10-3-4-10/h5-6,9-10,16H,2-4,7-8,14H2,1H3
InChIKeyXZXTYTMVXYYNDQ-UHFFFAOYSA-N
XLogP1.63
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.63
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

2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol
CID 63676661
4-N-cyclopentyl-2-ethoxy-4-N-methylbenzene-1,4-diamine
CID 63669956
2-(2-amino-N-cyclopropyl-5-ethoxy-4-fluoroanilino)ethanol
CID 63593939
4-[4-amino-N-(3,4-dihydroxybutyl)-3-ethoxyanilino]butane-1,2-diol
CID 59090244
2-amino-4-[cyclopropyl(2-hydroxyethyl)amino]benzoic acid
CID 104500447
2-[3-amino-4-ethoxy-N-(2-hydroxyethyl)anilino]ethanol
CID 22026558
2-(4-amino-3-ethoxy-N-methylanilino)-2-methylpropan-1-ol
CID 113475430
2-amino-5-[cyclopentyl(2-hydroxyethyl)amino]benzonitrile
CID 113323912
2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
CID 63670341
2-(4-amino-N-cyclobutylanilino)ethanol
CID 102859463
2-ethoxy-4-N-(2-methoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 63671709
2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine
CID 63725265

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol?
The IUPAC name of 2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol (CID 63675494) is 2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol.
What is the SMILES notation for 2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol?
The canonical SMILES for 2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol is CCOc1cc(N(CCO)C2CC2)ccc1N.
What is the InChIKey of 2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol?
The InChIKey is XZXTYTMVXYYNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-17-13-9-11(5-6-12(13)14)15(7-8-16)10-3-4-10/h5-6,9-10,16H,2-4,7-8,14H2,1H3.
What are the key properties of 2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol?
2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-cyclopropyl-3-ethoxyanilino)ethanol is sourced from PubChem (CID 63675494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).