2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol

C13H21NO2 — CID 22327727

IUPAC2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
SMILESCC(C)c1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C13H21NO2/c1-11(2)12-3-5-13(6-4-12)14(7-9-15)8-10-16/h3-6,11,15-16H,7-10H2,1-2H3
InChIKeyOMBRORBBHNMRDM-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.60
Rot. Bonds6

About 2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol

2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol (PubChem CID 22327727) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol.

Molecular Properties

Compound Name2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
PubChem CID22327727
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol
SMILESCC(C)c1ccc(N(CCO)CCO)cc1
InChIInChI=1S/C13H21NO2/c1-11(2)12-3-5-13(6-4-12)14(7-9-15)8-10-16/h3-6,11,15-16H,7-10H2,1-2H3
InChIKeyOMBRORBBHNMRDM-UHFFFAOYSA-N
XLogP1.60
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[N-(2-hydroxyethyl)-4-[(4-propan-2-ylphenyl)diazenyl]anilino]ethanol
CID 102397474
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070
(1R)-1-[4-[butyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 55184841
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
2-[N-butyl-4-[1-(methylamino)ethyl]anilino]ethanol
CID 61446426
(1S)-1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 104869553
ethane;N-ethyl-4-propan-2-yl-N-propylaniline
CID 145169701
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
2-[4-[1-(4-chlorophenyl)-2,2,3-trimethylbut-3-enyl]-N-(2-hydroxyethyl)anilino]ethanol
CID 123718937
2-[[2-chloro-2-(4-propan-2-ylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214394
2-[4-amino-N-[4-[4-amino-N-(2-hydroxyethyl)anilino]butyl]anilino]ethanol;tetrahydrochloride
CID 70637275
3-(N-pentyl-4-propan-2-ylanilino)propanoic acid
CID 82318132

Frequently Asked Questions

What is the IUPAC name of 2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol?
The IUPAC name of 2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol (CID 22327727) is 2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol.
What is the SMILES notation for 2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol?
The canonical SMILES for 2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol is CC(C)c1ccc(N(CCO)CCO)cc1.
What is the InChIKey of 2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol?
The InChIKey is OMBRORBBHNMRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(2)12-3-5-13(6-4-12)14(7-9-15)8-10-16/h3-6,11,15-16H,7-10H2,1-2H3.
What are the key properties of 2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol?
2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol has a molecular weight of 223.32 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(2-hydroxyethyl)-4-propan-2-ylanilino]ethanol is sourced from PubChem (CID 22327727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).