1-phenyl-2-(propan-2-ylamino)ethanol

C11H17NO — CID 20119

IUPAC1-phenyl-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccccc1
InChIInChI=1S/C11H17NO/c1-9(2)12-8-11(13)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3
InChIKeyYANYGOBZUASRHR-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.72
Rot. Bonds4

About 1-phenyl-2-(propan-2-ylamino)ethanol

1-phenyl-2-(propan-2-ylamino)ethanol (PubChem CID 20119) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-phenyl-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-phenyl-2-(propan-2-ylamino)ethanol
PubChem CID20119
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-phenyl-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccccc1
InChIInChI=1S/C11H17NO/c1-9(2)12-8-11(13)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3
InChIKeyYANYGOBZUASRHR-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 7028
Ephedrine
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CID 10297
Nylidrin
CID 4567
Phenmetrazine
CID 4762
Phenylethanolamine
CID 1000
Ractopamine
CID 56052
Ephedrine Hydrochloride
CID 65326
Phenmetrazine Hydrochloride
CID 92159
Cathine
CID 441457
Ritodrine
CID 33572
Pipradrol
CID 10083

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-phenyl-2-(propan-2-ylamino)ethanol (CID 20119) is 1-phenyl-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-phenyl-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-phenyl-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(propan-2-ylamino)ethanol?
The InChIKey is YANYGOBZUASRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2)12-8-11(13)10-6-4-3-5-7-10/h3-7,9,11-13H,8H2,1-2H3.
What are the key properties of 1-phenyl-2-(propan-2-ylamino)ethanol?
1-phenyl-2-(propan-2-ylamino)ethanol has a molecular weight of 179.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 20119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).