3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol

C13H21NO2 — CID 64804504

IUPAC3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCOCC(CO)(NC(C)C)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-11(2)14-13(9-15,10-16-3)12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3
InChIKeyJRQAOMXPQWAWDR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.52
Rot. Bonds6

About 3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol

3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64804504) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
PubChem CID64804504
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
SMILESCOCC(CO)(NC(C)C)c1ccccc1
InChIInChI=1S/C13H21NO2/c1-11(2)14-13(9-15,10-16-3)12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3
InChIKeyJRQAOMXPQWAWDR-UHFFFAOYSA-N
XLogP1.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol
CID 103465829
3-[2,2-dimethylpropyl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64826976
3-[butan-2-yl(methyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798274
3-butan-2-ylsulfanyl-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64820845
3-[methyl(2-methylpropyl)amino]-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64798698
4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
CID 103466320
4-cyclopentyloxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694241
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
4-(3-methylbutylsulfanyl)-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 107756327
3-(2-methylpyrrolidin-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64790980
3-(4-chloro-3-methylpyrazol-1-yl)-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64809068

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol (CID 64804504) is 3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol is COCC(CO)(NC(C)C)c1ccccc1.
What is the InChIKey of 3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is JRQAOMXPQWAWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-11(2)14-13(9-15,10-16-3)12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3.
What are the key properties of 3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol?
3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64804504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).