4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol

C11H17NO2 — CID 76959355

IUPAC4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
SMILESCC(C)NC[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9/h3-6,8,11-14H,7H2,1-2H3/t11-/m1/s1
InChIKeyMPCPSVWSWKWJLO-LLVKDONJSA-N
MW195.26 g/mol
LogP1.42
Rot. Bonds4

About 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol

4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol (PubChem CID 76959355) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
PubChem CID76959355
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
SMILESCC(C)NC[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9/h3-6,8,11-14H,7H2,1-2H3/t11-/m1/s1
InChIKeyMPCPSVWSWKWJLO-LLVKDONJSA-N
XLogP1.42
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
(1S)-1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553259
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
1-(4-ethylsulfanylphenyl)-2-(propan-2-ylamino)ethanol
CID 112514138
1-(4-methylsulfanylphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 172687995
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol
CID 54511815
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol;5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
CID 90002784
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
CID 14010333
4-[(3R)-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrobromide
CID 173443354
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
1-(4-bromo-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
CID 81442005
4-[1-[(2-hydroxy-2-phenylethyl)amino]propyl]phenol
CID 43499212

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol?
The IUPAC name of 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol (CID 76959355) is 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol?
The canonical SMILES for 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol is CC(C)NC[C@@H](O)c1ccc(O)cc1.
What is the InChIKey of 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol?
The InChIKey is MPCPSVWSWKWJLO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9/h3-6,8,11-14H,7H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol?
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol has a molecular weight of 195.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 76959355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).