(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol

C15H25NO3 — CID 95232149

IUPAC(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccccc1OC[C@H](O)CN(C)CCO
InChIInChI=1S/C15H25NO3/c1-12(2)14-6-4-5-7-15(14)19-11-13(18)10-16(3)8-9-17/h4-7,12-13,17-18H,8-11H2,1-3H3/t13-/m1/s1
InChIKeyZHZWDQYARICUFB-CYBMUJFWSA-N
MW267.37 g/mol
LogP1.47
Rot. Bonds8

About (2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol

(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol (PubChem CID 95232149) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
PubChem CID95232149
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
SMILESCC(C)c1ccccc1OC[C@H](O)CN(C)CCO
InChIInChI=1S/C15H25NO3/c1-12(2)14-6-4-5-7-15(14)19-11-13(18)10-16(3)8-9-17/h4-7,12-13,17-18H,8-11H2,1-3H3/t13-/m1/s1
InChIKeyZHZWDQYARICUFB-CYBMUJFWSA-N
XLogP1.47
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-methylamino]methyl]cyclopentan-1-ol
CID 109394116
1-[butyl(ethyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4966118
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
1-(4-tert-butyl-2-methylphenoxy)-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
CID 110877511
1-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl-methylamino]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 156789903
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-(2-methylpropylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 71651455
1-(2-methylpropoxy)-2-propan-2-ylbenzene
CID 58901647
2-N,2-N-dimethyl-3-(2-propan-2-ylphenoxy)propane-1,2-diamine
CID 112500951
N,N-bis(2-hydroxyethyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 60653391
1-[2-(aminomethyl)phenoxy]-3-[2-(dimethylamino)ethyl-methylamino]propan-2-ol
CID 63694109

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol (CID 95232149) is (2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol is CC(C)c1ccccc1OC[C@H](O)CN(C)CCO.
What is the InChIKey of (2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is ZHZWDQYARICUFB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25NO3/c1-12(2)14-6-4-5-7-15(14)19-11-13(18)10-16(3)8-9-17/h4-7,12-13,17-18H,8-11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol?
(2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-hydroxyethyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 95232149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).