(2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol

C23H33NO3 — CID 97182483

IUPAC(2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol
SMILESCCC[C@@H](O)CN(CCO)CCCc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C23H33NO3/c1-2-7-22(26)18-24(16-17-25)15-6-8-20-11-13-21(14-12-20)19-27-23-9-4-3-5-10-23/h3-5,9-14,22,25-26H,2,6-8,15-19H2,1H3/t22-/m1/s1
InChIKeyCOMNCEHONISSOD-JOCHJYFZSA-N
MW371.52 g/mol
LogP3.65
Rot. Bonds13

About (2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol

(2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol (PubChem CID 97182483) has the molecular formula C23H33NO3 and a molecular weight of 371.52 g/mol. Its IUPAC name is (2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol
PubChem CID97182483
Molecular FormulaC23H33NO3
Molecular Weight371.52 g/mol
Exact Mass371.25
IUPAC Name(2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol
SMILESCCC[C@@H](O)CN(CCO)CCCc1ccc(COc2ccccc2)cc1
InChIInChI=1S/C23H33NO3/c1-2-7-22(26)18-24(16-17-25)15-6-8-20-11-13-21(14-12-20)19-27-23-9-4-3-5-10-23/h3-5,9-14,22,25-26H,2,6-8,15-19H2,1H3/t22-/m1/s1
InChIKeyCOMNCEHONISSOD-JOCHJYFZSA-N
XLogP3.65
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.52
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]ethanol
CID 29761
2-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]propan-1-ol
CID 71677148
1-[bis(2-hydroxyethyl)amino]-3-phenoxypropan-2-ol
CID 3721527
(2S)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]-[2-(4-phenylmethoxyphenyl)ethyl]amino]-3-phenoxypropan-2-ol
CID 67905868
(1S)-2-[methyl-[3-(4-phenylmethoxyphenyl)propyl]amino]-1-phenylethanol
CID 70593836
(2R)-1-(diethylamino)-3-(4-phenylmethoxyphenoxy)propan-2-ol
CID 7157614
1-(4-aminophenoxy)-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444137
1-[3-(aminomethyl)phenoxy]-3-[butyl(2-hydroxyethyl)amino]propan-2-ol
CID 61444597
2-[2-hydroxyethyl-[4-[4-(2-phenylethyl)phenoxy]butyl]amino]ethanol
CID 20544935
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
(2S)-1-[butyl(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 95231993
(2S)-1-[2-hydroxyethyl(propyl)amino]-3-[(4-methoxyphenyl)methoxy]propan-2-ol
CID 95232031

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol?
The IUPAC name of (2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol (CID 97182483) is (2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol.
What is the SMILES notation for (2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol?
The canonical SMILES for (2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol is CCC[C@@H](O)CN(CCO)CCCc1ccc(COc2ccccc2)cc1.
What is the InChIKey of (2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol?
The InChIKey is COMNCEHONISSOD-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H33NO3/c1-2-7-22(26)18-24(16-17-25)15-6-8-20-11-13-21(14-12-20)19-27-23-9-4-3-5-10-23/h3-5,9-14,22,25-26H,2,6-8,15-19H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol?
(2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol has a molecular weight of 371.52 g/mol, XLogP of 3.65, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-hydroxyethyl-[3-[4-(phenoxymethyl)phenyl]propyl]amino]pentan-2-ol is sourced from PubChem (CID 97182483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).