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

C14H23NO3 — CID 115359754

IUPAC3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCC(O)COc1ccccc1
InChIInChI=1S/C14H23NO3/c1-14(2,11-16)10-15-8-12(17)9-18-13-6-4-3-5-7-13/h3-7,12,15-17H,8-11H2,1-2H3
InChIKeyUMNDOCDNGIADEI-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.03
Rot. Bonds8

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

3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115359754) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115359754
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNCC(O)COc1ccccc1
InChIInChI=1S/C14H23NO3/c1-14(2,11-16)10-15-8-12(17)9-18-13-6-4-3-5-7-13/h3-7,12,15-17H,8-11H2,1-2H3
InChIKeyUMNDOCDNGIADEI-UHFFFAOYSA-N
XLogP1.03
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.03
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-[[3-(4-bromophenoxy)-2-hydroxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359902
1-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpropan-2-ol
CID 63239730
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]-2-methylpropane-1,2-diol
CID 66186467
1-(2,2-dimethylbutylamino)-3-(4-fluorophenoxy)propan-2-ol
CID 103698735
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
1-(3-methylpentan-3-ylamino)-3-phenoxypropan-2-ol
CID 113253719
1-(2-aminopropylamino)-3-phenoxypropan-2-ol
CID 54410968
5-[(2-hydroxy-3-phenoxypropyl)amino]-2-methylpentan-1-ol
CID 106160109
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
4-[3-[(2,3-dihydroxy-2-methylpropyl)amino]-2-hydroxypropoxy]benzonitrile
CID 66187163

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol (CID 115359754) is 3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNCC(O)COc1ccccc1.
What is the InChIKey of 3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is UMNDOCDNGIADEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2,11-16)10-15-8-12(17)9-18-13-6-4-3-5-7-13/h3-7,12,15-17H,8-11H2,1-2H3.
What are the key properties of 3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol?
3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.03, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-phenoxypropyl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115359754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).