3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol

C13H22N2O3 — CID 140636475

IUPAC3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol
SMILESOCCCN(CCO)c1ccc(NCCO)cc1
InChIInChI=1S/C13H22N2O3/c16-9-1-7-15(8-11-18)13-4-2-12(3-5-13)14-6-10-17/h2-5,14,16-18H,1,6-11H2
InChIKeyXULWAISCVIWJBI-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.27
Rot. Bonds9

About 3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol

3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol (PubChem CID 140636475) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol.

Molecular Properties

Compound Name3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol
PubChem CID140636475
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol
SMILESOCCCN(CCO)c1ccc(NCCO)cc1
InChIInChI=1S/C13H22N2O3/c16-9-1-7-15(8-11-18)13-4-2-12(3-5-13)14-6-10-17/h2-5,14,16-18H,1,6-11H2
InChIKeyXULWAISCVIWJBI-UHFFFAOYSA-N
XLogP0.27
TPSA75.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-[4-[bis(3-hydroxypropyl)amino]-N-(3-hydroxypropyl)anilino]propan-1-ol
CID 67533016
N-[5-[4-[bis(2-hydroxyethyl)amino]anilino]pentyl]-2-methylpropane-2-sulfonamide
CID 70939625
2-[3-[4-amino-N-(2-hydroxyethyl)anilino]propylamino]ethanol;trihydrate;trihydrochloride
CID 70549305
2-[4-amino-N-[4-[4-amino-N-(2-hydroxyethyl)anilino]butyl]anilino]ethanol;tetrahydrochloride
CID 70637275
2-[4-amino-N-(2-hydroxyethyl)-3-nitroanilino]ethanol;2-(4-amino-3-nitroanilino)ethanol
CID 87924364
1-N-butyl-4-N-[4-[4-(butylamino)-N-[4-(dibutylamino)phenyl]anilino]phenyl]benzene-1,4-diamine
CID 139438578
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146
2-[N-ethyl-4-[(2-fluorophenyl)methylamino]anilino]ethanol
CID 60685335
2-[4-[2-[4-[3-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylpropylamino]phenyl]ethenyl]-N-(2-hydroxyethyl)anilino]ethanol
CID 123401851
N-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-cyanoacetamide
CID 168520060
4-[2-(tert-butylamino)ethyl-(2-hydroxyethyl)amino]benzoic acid;(Z)-2-chlorobut-2-ene;formaldehyde
CID 162438601

Frequently Asked Questions

What is the IUPAC name of 3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol?
The IUPAC name of 3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol (CID 140636475) is 3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol.
What is the SMILES notation for 3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol?
The canonical SMILES for 3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol is OCCCN(CCO)c1ccc(NCCO)cc1.
What is the InChIKey of 3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol?
The InChIKey is XULWAISCVIWJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-9-1-7-15(8-11-18)13-4-2-12(3-5-13)14-6-10-17/h2-5,14,16-18H,1,6-11H2.
What are the key properties of 3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol?
3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 0.27, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(2-hydroxyethyl)-4-(2-hydroxyethylamino)anilino]propan-1-ol is sourced from PubChem (CID 140636475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).