2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol

C13H20N2O2 — CID 55232564

IUPAC2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol
SMILESCCOc1cc(NCC(O)C2CC2)ccc1N
InChIInChI=1S/C13H20N2O2/c1-2-17-13-7-10(5-6-11(13)14)15-8-12(16)9-3-4-9/h5-7,9,12,15-16H,2-4,8,14H2,1H3
InChIKeyWSYOZUQXKFCTJJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.85
Rot. Bonds6

About 2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol

2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol (PubChem CID 55232564) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol.

Molecular Properties

Compound Name2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol
PubChem CID55232564
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol
SMILESCCOc1cc(NCC(O)C2CC2)ccc1N
InChIInChI=1S/C13H20N2O2/c1-2-17-13-7-10(5-6-11(13)14)15-8-12(16)9-3-4-9/h5-7,9,12,15-16H,2-4,8,14H2,1H3
InChIKeyWSYOZUQXKFCTJJ-UHFFFAOYSA-N
XLogP1.85
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-ethoxyanilino)pentan-2-ol
CID 113495527
2-(3-amino-4-methylanilino)-1-cyclopropylethanol
CID 63295237
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541
2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine
CID 113483988
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
2-amino-4-[(2-cyclopropyl-2-hydroxyethyl)amino]benzenesulfonamide
CID 79467427
2-[(6-amino-3-pyridinyl)amino]-1-cyclopropylethanol
CID 63294753
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
2-ethoxy-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 55232740
2-ethoxy-4-N-(oxan-2-ylmethyl)benzene-1,4-diamine
CID 55233551
1-cyclopropyl-2-(3-ethoxy-5-nitroanilino)ethanol
CID 80724266
4-N-[(1,1-dioxothiolan-2-yl)methyl]-2-ethoxybenzene-1,4-diamine
CID 81038675

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol?
The IUPAC name of 2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol (CID 55232564) is 2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol.
What is the SMILES notation for 2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol?
The canonical SMILES for 2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol is CCOc1cc(NCC(O)C2CC2)ccc1N.
What is the InChIKey of 2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol?
The InChIKey is WSYOZUQXKFCTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-17-13-7-10(5-6-11(13)14)15-8-12(16)9-3-4-9/h5-7,9,12,15-16H,2-4,8,14H2,1H3.
What are the key properties of 2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol?
2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol has a molecular weight of 236.31 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol is sourced from PubChem (CID 55232564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).