(1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol

C22H29NO3 — CID 59508792

IUPAC(1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol
SMILESO[C@@H](CN(CCOC1CCCCO1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO3/c24-21(20-11-5-2-6-12-20)18-23(17-19-9-3-1-4-10-19)14-16-26-22-13-7-8-15-25-22/h1-6,9-12,21-22,24H,7-8,13-18H2/t21-,22?/m0/s1
InChIKeyDDQFGRFNULMYMR-HMTLIYDFSA-N
MW355.48 g/mol
LogP3.77
Rot. Bonds9

About (1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol

(1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol (PubChem CID 59508792) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol
PubChem CID59508792
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol
SMILESO[C@@H](CN(CCOC1CCCCO1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO3/c24-21(20-11-5-2-6-12-20)18-23(17-19-9-3-1-4-10-19)14-16-26-22-13-7-8-15-25-22/h1-6,9-12,21-22,24H,7-8,13-18H2/t21-,22?/m0/s1
InChIKeyDDQFGRFNULMYMR-HMTLIYDFSA-N
XLogP3.77
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(4-chlorophenyl)ethyl]amino]-3-fluorophenol;4-[[(1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-(4-chlorophenyl)ethyl]amino]-3-fluorophenol
CID 159410577
4-[[(1R)-2-[benzyl(2-hydroxyethyl)amino]-1-(4-chlorophenyl)ethyl]amino]-3-chlorobenzonitrile;4-[[(1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-(4-chlorophenyl)ethyl]amino]-3-chlorobenzonitrile
CID 159773188
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
(1R,2R)-2-amino-3-(oxan-2-yloxy)-1-phenylpropan-1-ol
CID 14199162
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640
(1S)-4-(oxan-2-yloxy)-1-phenylbut-2-yn-1-ol
CID 165344268
(Z)-4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 10610568
4-(oxan-2-yloxy)-1-phenylbut-2-en-1-ol
CID 85204875
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
CID 161088748
CID 161088748
2-(3-phenylhex-5-ynoxy)oxane
CID 10658882

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol (CID 59508792) is (1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol is O[C@@H](CN(CCOC1CCCCO1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol?
The InChIKey is DDQFGRFNULMYMR-HMTLIYDFSA-N. The full InChI is InChI=1S/C22H29NO3/c24-21(20-11-5-2-6-12-20)18-23(17-19-9-3-1-4-10-19)14-16-26-22-13-7-8-15-25-22/h1-6,9-12,21-22,24H,7-8,13-18H2/t21-,22?/m0/s1.
What are the key properties of (1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol?
(1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol has a molecular weight of 355.48 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[benzyl-[2-(oxan-2-yloxy)ethyl]amino]-1-phenylethanol is sourced from PubChem (CID 59508792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).