(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol

C15H25NO3 — CID 95358395

IUPAC(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C15H25NO3/c1-13(2)19-12-15(18)11-16(8-9-17)10-14-6-4-3-5-7-14/h3-7,13,15,17-18H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyGKSFCILPHVTBLS-OAHLLOKOSA-N
MW267.37 g/mol
LogP1.27
Rot. Bonds9

About (2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol

(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 95358395) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
PubChem CID95358395
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CN(CCO)Cc1ccccc1
InChIInChI=1S/C15H25NO3/c1-13(2)19-12-15(18)11-16(8-9-17)10-14-6-4-3-5-7-14/h3-7,13,15,17-18H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyGKSFCILPHVTBLS-OAHLLOKOSA-N
XLogP1.27
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 3825046
(2S)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-methoxyphenoxy)propan-2-ol
CID 40840949
1-[benzyl-[(2-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007720
1-[benzyl(2-hydroxyethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 21237741
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butylphenoxy)propan-2-ol
CID 30050572
1-[benzyl(2-hydroxyethyl)amino]-3-(2-tert-butylphenoxy)propan-2-ol chloride
CID 21237867
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-(2,3-dimethylphenoxy)propan-2-ol
CID 27332155
1-[benzyl(butan-2-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 24713906
1-[bis[(4-fluorophenyl)methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46007666
1-[benzyl-(2-hydroxy-1-phenylethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 167933634
(2S)-1-(1-adamantyloxy)-3-[benzyl(2-hydroxyethyl)amino]propan-2-ol
CID 41493437
1-[benzyl(2-hydroxyethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 2770333

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol (CID 95358395) is (2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@H](O)CN(CCO)Cc1ccccc1.
What is the InChIKey of (2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is GKSFCILPHVTBLS-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25NO3/c1-13(2)19-12-15(18)11-16(8-9-17)10-14-6-4-3-5-7-14/h3-7,13,15,17-18H,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[benzyl(2-hydroxyethyl)amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 95358395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).