3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol

C11H17NO2 — CID 19136

IUPAC3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
SMILESCC(C)NCC(O)c1cccc(O)c1
InChIInChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-4-3-5-10(13)6-9/h3-6,8,11-14H,7H2,1-2H3
InChIKeyLVISWIXSNZQRHA-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.42
Rot. Bonds4

About 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol

3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol (PubChem CID 19136) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
PubChem CID19136
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
SMILESCC(C)NCC(O)c1cccc(O)c1
InChIInChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-4-3-5-10(13)6-9/h3-6,8,11-14H,7H2,1-2H3
InChIKeyLVISWIXSNZQRHA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol?
The IUPAC name of 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol (CID 19136) is 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol?
The canonical SMILES for 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol is CC(C)NCC(O)c1cccc(O)c1.
What is the InChIKey of 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol?
The InChIKey is LVISWIXSNZQRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)12-7-11(14)9-4-3-5-10(13)6-9/h3-6,8,11-14H,7H2,1-2H3.
What are the key properties of 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol?
3-[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 3-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenol is sourced from PubChem (CID 19136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).