(2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol

C14H23NO2 — CID 41300592

IUPAC(2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
SMILESCNC[C@@H](O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)13-6-5-11(3)7-14(13)17-9-12(16)8-15-4/h5-7,10,12,15-16H,8-9H2,1-4H3/t12-/m1/s1
InChIKeyQHTMNRCPLRGNEZ-GFCCVEGCSA-N
MW237.34 g/mol
LogP2.08
Rot. Bonds6

About (2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol

(2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol (PubChem CID 41300592) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
PubChem CID41300592
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
SMILESCNC[C@@H](O)COc1cc(C)ccc1C(C)C
InChIInChI=1S/C14H23NO2/c1-10(2)13-6-5-11(3)7-14(13)17-9-12(16)8-15-4/h5-7,10,12,15-16H,8-9H2,1-4H3/t12-/m1/s1
InChIKeyQHTMNRCPLRGNEZ-GFCCVEGCSA-N
XLogP2.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593413
(2R)-1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 41300568
1-(cyclopentylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593407
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 43188013
1-(4-bromo-2-propan-2-ylphenoxy)-3-(methylamino)propan-2-ol
CID 115401723
tert-butyl-[2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]azanium chloride
CID 2830249
(2R)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 2293480
methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
CID 43537579
1-(furan-2-ylmethylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol;oxalic acid
CID 18593406
(2R)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 7386860
(2S)-1-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol
CID 7386862
1-(4-methylpiperidin-1-yl)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol chloride
CID 21237426

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol (CID 41300592) is (2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol is CNC[C@@H](O)COc1cc(C)ccc1C(C)C.
What is the InChIKey of (2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol?
The InChIKey is QHTMNRCPLRGNEZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10(2)13-6-5-11(3)7-14(13)17-9-12(16)8-15-4/h5-7,10,12,15-16H,8-9H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol?
(2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(methylamino)-3-(5-methyl-2-propan-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 41300592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).