2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol

C14H23NO3 — CID 13104426

IUPAC2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
SMILESCc1ccccc1OCC(O)CNC(C)(C)CO
InChIInChI=1S/C14H23NO3/c1-11-6-4-5-7-13(11)18-9-12(17)8-15-14(2,3)10-16/h4-7,12,15-17H,8-10H2,1-3H3
InChIKeyKWNJQMMSCWHHFD-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.10
Rot. Bonds7

About 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol

2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol (PubChem CID 13104426) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
PubChem CID13104426
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
SMILESCc1ccccc1OCC(O)CNC(C)(C)CO
InChIInChI=1S/C14H23NO3/c1-11-6-4-5-7-13(11)18-9-12(17)8-15-14(2,3)10-16/h4-7,12,15-17H,8-10H2,1-3H3
InChIKeyKWNJQMMSCWHHFD-UHFFFAOYSA-N
XLogP1.10
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-(2-methylphenoxy)-3-[(2-methyl-1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 13096685
3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-4,4-dimethylpentan-1-ol
CID 103949850
1-(2,2-dimethylhydrazinyl)-3-(2-methylphenoxy)propan-2-ol
CID 83014355
(2S)-1-[[(2S)-2-hydroxypropyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 7830763
1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714693
1-(3-methylbutylamino)-3-(2-methylphenoxy)propan-2-ol
CID 60633605
2-[[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 3412619
1-(5-chloro-2-methylanilino)-3-(2-methylphenoxy)propan-2-ol
CID 60903378
2-[[(2R)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 39915376
2-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpropan-1-ol
CID 44785140
1-[4-(methylamino)butan-2-ylamino]-3-(2-methylphenoxy)propan-2-ol
CID 54332913

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol (CID 13104426) is 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol is Cc1ccccc1OCC(O)CNC(C)(C)CO.
What is the InChIKey of 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol?
The InChIKey is KWNJQMMSCWHHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11-6-4-5-7-13(11)18-9-12(17)8-15-14(2,3)10-16/h4-7,12,15-17H,8-10H2,1-3H3.
What are the key properties of 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol?
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 13104426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).