2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol

C13H19NO2 — CID 115335546

IUPAC2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol
SMILESCC1OCCC1NCC(O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10-12(7-8-16-10)14-9-13(15)11-5-3-2-4-6-11/h2-6,10,12-15H,7-9H2,1H3
InChIKeyYDHFKKDDGRZQOC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.49
Rot. Bonds4

About 2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol

2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol (PubChem CID 115335546) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol
PubChem CID115335546
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol
SMILESCC1OCCC1NCC(O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-10-12(7-8-16-10)14-9-13(15)11-5-3-2-4-6-11/h2-6,10,12-15H,7-9H2,1H3
InChIKeyYDHFKKDDGRZQOC-UHFFFAOYSA-N
XLogP1.49
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-hydroxy-2-[(2-methyloxolan-3-yl)amino]ethyl]benzonitrile
CID 82726281
N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
CID 82728703
3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 75441504
(2R)-1-[[(2R,3R)-2-methyloxolan-3-yl]amino]propan-2-ol
CID 97358024
1-[(2-methyloxolan-3-yl)amino]propan-2-ol
CID 75525152
1-[(2-methyloxolan-3-yl)amino]-2-phenylpropan-2-ol
CID 113290123
1-phenyl-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81301234
tert-butyl N-[2-[(2-methyloxolan-3-yl)amino]-1-phenylethyl]carbamate
CID 103827885
1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol
CID 167896430
2-[(2-ethylcyclopentyl)amino]-1-phenylethanol
CID 115706038
(2S,3R)-2-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 97358057
2-methyl-3-[(2-methyloxolan-3-yl)amino]propanoic acid
CID 82726081

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol (CID 115335546) is 2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol is CC1OCCC1NCC(O)c1ccccc1.
What is the InChIKey of 2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol?
The InChIKey is YDHFKKDDGRZQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-12(7-8-16-10)14-9-13(15)11-5-3-2-4-6-11/h2-6,10,12-15H,7-9H2,1H3.
What are the key properties of 2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol?
2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol has a molecular weight of 221.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxolan-3-yl)amino]-1-phenylethanol is sourced from PubChem (CID 115335546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).