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

C13H21NO3 — CID 63239730

IUPAC1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCC(O)COc1ccccc1
InChIInChI=1S/C13H21NO3/c1-13(2,16)10-14-8-11(15)9-17-12-6-4-3-5-7-12/h3-7,11,14-16H,8-10H2,1-2H3
InChIKeyHATYHLSMKWXCGK-UHFFFAOYSA-N
MW239.31 g/mol
LogP0.79
Rot. Bonds7

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

1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol (PubChem CID 63239730) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
PubChem CID63239730
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCC(O)COc1ccccc1
InChIInChI=1S/C13H21NO3/c1-13(2,16)10-14-8-11(15)9-17-12-6-4-3-5-7-12/h3-7,11,14-16H,8-10H2,1-2H3
InChIKeyHATYHLSMKWXCGK-UHFFFAOYSA-N
XLogP0.79
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[[3-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]-2,2-dimethylpropyl]amino]-3-phenoxypropan-2-ol
CID 40580003
3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol
CID 115359754
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
4-[2-hydroxy-3-[(2-hydroxy-2-methylpropyl)amino]propoxy]benzonitrile
CID 65107302
1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
CID 113253719
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol
CID 66186467
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(iodoamino)-3-phenoxypropan-2-ol
CID 89357647
1-[(2-methylcyclopropyl)methylamino]-3-phenoxypropan-2-ol
CID 113463781
tert-butyl N-(2-hydroxy-3-phenoxypropyl)carbamate
CID 14249476

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol (CID 63239730) is 1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol is CC(C)(O)CNCC(O)COc1ccccc1.
What is the InChIKey of 1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol?
The InChIKey is HATYHLSMKWXCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,16)10-14-8-11(15)9-17-12-6-4-3-5-7-12/h3-7,11,14-16H,8-10H2,1-2H3.
What are the key properties of 1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol?
1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol has a molecular weight of 239.31 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 63239730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).