4-[1-hydroxyethyl(propan-2-yl)amino]phenol

C11H17NO2 — CID 57307888

IUPAC4-[1-hydroxyethyl(propan-2-yl)amino]phenol
SMILESCC(C)N(c1ccc(O)cc1)C(C)O
InChIInChI=1S/C11H17NO2/c1-8(2)12(9(3)13)10-4-6-11(14)7-5-10/h4-9,13-14H,1-3H3
InChIKeyBNEPANLMPSKFOW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.95
Rot. Bonds3

About 4-[1-hydroxyethyl(propan-2-yl)amino]phenol

4-[1-hydroxyethyl(propan-2-yl)amino]phenol (PubChem CID 57307888) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-[1-hydroxyethyl(propan-2-yl)amino]phenol.

Molecular Properties

Compound Name4-[1-hydroxyethyl(propan-2-yl)amino]phenol
PubChem CID57307888
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-[1-hydroxyethyl(propan-2-yl)amino]phenol
SMILESCC(C)N(c1ccc(O)cc1)C(C)O
InChIInChI=1S/C11H17NO2/c1-8(2)12(9(3)13)10-4-6-11(14)7-5-10/h4-9,13-14H,1-3H3
InChIKeyBNEPANLMPSKFOW-UHFFFAOYSA-N
XLogP1.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-[methyl(2-methylpropyl)amino]phenol
CID 57245584
4-[2-[4-[di(propan-2-yl)amino]phenyl]ethynyl]-N,N-di(propan-2-yl)aniline
CID 102434399
4-[bis(3-methylbutyl)amino]phenol
CID 57012672
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
1-N-[2-[4-[di(propan-2-yl)amino]-N-propan-2-ylanilino]ethyl]-1-N,4-N,4-N-tri(propan-2-yl)benzene-1,4-diamine
CID 126713383
benzene-1,4-diol;butane-2,3-diol;ethane-1,2-diol
CID 174897598
4-[3-[3-[di(propan-2-yl)amino]phenyl]-1-hydroxy-2-methylpropyl]phenol
CID 71294934
4-methylphenol;2-methylpropane
CID 91606636
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
2-chloro-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 11063778
2-amino-N-(4-hydroxyphenyl)-N-methylpropanamide
CID 23221170
4-[[hydroxy(propan-2-yl)amino]methyl]phenol
CID 10487648

Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxyethyl(propan-2-yl)amino]phenol?
The IUPAC name of 4-[1-hydroxyethyl(propan-2-yl)amino]phenol (CID 57307888) is 4-[1-hydroxyethyl(propan-2-yl)amino]phenol.
What is the SMILES notation for 4-[1-hydroxyethyl(propan-2-yl)amino]phenol?
The canonical SMILES for 4-[1-hydroxyethyl(propan-2-yl)amino]phenol is CC(C)N(c1ccc(O)cc1)C(C)O.
What is the InChIKey of 4-[1-hydroxyethyl(propan-2-yl)amino]phenol?
The InChIKey is BNEPANLMPSKFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)12(9(3)13)10-4-6-11(14)7-5-10/h4-9,13-14H,1-3H3.
What are the key properties of 4-[1-hydroxyethyl(propan-2-yl)amino]phenol?
4-[1-hydroxyethyl(propan-2-yl)amino]phenol has a molecular weight of 195.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxyethyl(propan-2-yl)amino]phenol is sourced from PubChem (CID 57307888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).