(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol

C20H25NO3 — CID 111422052

IUPAC(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol
SMILESOC[C@@H](NCc1ccc(OCC2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C20H25NO3/c22-14-20(17-5-2-1-3-6-17)21-13-16-8-10-18(11-9-16)24-15-19-7-4-12-23-19/h1-3,5-6,8-11,19-22H,4,7,12-15H2/t19?,20-/m1/s1
InChIKeyPBKRPJSTFPOKGQ-GFOWMXPYSA-N
MW327.42 g/mol
LogP3.07
Rot. Bonds8

About (2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol

(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol (PubChem CID 111422052) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol
PubChem CID111422052
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol
SMILESOC[C@@H](NCc1ccc(OCC2CCCO2)cc1)c1ccccc1
InChIInChI=1S/C20H25NO3/c22-14-20(17-5-2-1-3-6-17)21-13-16-8-10-18(11-9-16)24-15-19-7-4-12-23-19/h1-3,5-6,8-11,19-22H,4,7,12-15H2/t19?,20-/m1/s1
InChIKeyPBKRPJSTFPOKGQ-GFOWMXPYSA-N
XLogP3.07
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol 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

(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-phenylpropanoic acid
CID 120510718
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 54798939
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1R)-1-phenylpropyl]benzamide
CID 93234589
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
2-[(4-butoxyphenyl)methylamino]-2-phenylethanol
CID 119134482
2-[(4-benzylphenoxy)methyl]oxane
CID 173143012
2-[4-[[(2-hydroxy-1-phenylethyl)amino]methyl]phenoxy]acetonitrile
CID 63182209
(2R)-2-amino-2-[3-(oxolan-2-ylmethoxy)phenyl]ethanol
CID 66514852
3-methyl-3-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]butan-1-ol
CID 111469000
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol (CID 111422052) is (2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol is OC[C@@H](NCc1ccc(OCC2CCCO2)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol?
The InChIKey is PBKRPJSTFPOKGQ-GFOWMXPYSA-N. The full InChI is InChI=1S/C20H25NO3/c22-14-20(17-5-2-1-3-6-17)21-13-16-8-10-18(11-9-16)24-15-19-7-4-12-23-19/h1-3,5-6,8-11,19-22H,4,7,12-15H2/t19?,20-/m1/s1.
What are the key properties of (2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol?
(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol has a molecular weight of 327.42 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-2-phenylethanol is sourced from PubChem (CID 111422052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).