(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol

C13H19NO3 — CID 66514852

IUPAC(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol
SMILESN[C@@H](CO)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C13H19NO3/c14-13(8-15)10-3-1-4-11(7-10)17-9-12-5-2-6-16-12/h1,3-4,7,12-13,15H,2,5-6,8-9,14H2/t12?,13-/m0/s1
InChIKeyIKRJCGWGMQDNKI-ABLWVSNPSA-N
MW237.30 g/mol
LogP1.24
Rot. Bonds5

About (2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol

(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol (PubChem CID 66514852) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol
PubChem CID66514852
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol
SMILESN[C@@H](CO)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C13H19NO3/c14-13(8-15)10-3-1-4-11(7-10)17-9-12-5-2-6-16-12/h1,3-4,7,12-13,15H,2,5-6,8-9,14H2/t12?,13-/m0/s1
InChIKeyIKRJCGWGMQDNKI-ABLWVSNPSA-N
XLogP1.24
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43199011
1-(3-cyclopropyloxyphenyl)-2-(oxolan-2-yl)ethanamine
CID 114521505
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
3-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 24696878
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
N-[[3-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43278533
[4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol
CID 110006486
1-(3-methoxyphenyl)-N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431727
(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol
CID 111422052
1-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-amine
CID 104993455
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol?
The IUPAC name of (2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol (CID 66514852) is (2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol is N[C@@H](CO)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of (2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol?
The InChIKey is IKRJCGWGMQDNKI-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H19NO3/c14-13(8-15)10-3-1-4-11(7-10)17-9-12-5-2-6-16-12/h1,3-4,7,12-13,15H,2,5-6,8-9,14H2/t12?,13-/m0/s1.
What are the key properties of (2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol?
(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol has a molecular weight of 237.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol is sourced from PubChem (CID 66514852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).