3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol

C18H31NO2 — CID 64811643

IUPAC3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol
SMILESCCCCCCOCC(CO)(NCCC)c1ccccc1
InChIInChI=1S/C18H31NO2/c1-3-5-6-10-14-21-16-18(15-20,19-13-4-2)17-11-8-7-9-12-17/h7-9,11-12,19-20H,3-6,10,13-16H2,1-2H3
InChIKeyPVZFFRJGOLIUMA-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.47
Rot. Bonds12

About 3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol

3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol (PubChem CID 64811643) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol
PubChem CID64811643
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol
SMILESCCCCCCOCC(CO)(NCCC)c1ccccc1
InChIInChI=1S/C18H31NO2/c1-3-5-6-10-14-21-16-18(15-20,19-13-4-2)17-11-8-7-9-12-17/h7-9,11-12,19-20H,3-6,10,13-16H2,1-2H3
InChIKeyPVZFFRJGOLIUMA-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-dimethylbutoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 66227107
3-(2-cyclobutylethoxy)-2-phenyl-2-(propylamino)propan-1-ol
CID 106206861
2-phenyl-2-(propylamino)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 116696045
3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64806019
3-cyclopentyloxy-2-(ethylamino)-2-phenylpropan-1-ol
CID 64804494
(5-heptoxy-2-methylpentan-2-yl)benzene
CID 143912410
3-phenyl-3-(propylamino)hexan-1-ol
CID 65234672
2-hexoxy-2-phenylpropan-1-ol
CID 10105542
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol
CID 103465829
(2S)-2-methyl-3-octadecoxy-2-phenylmethoxypropan-1-ol
CID 69098016
azane;ethane-1,2-diol;1-nonoxynonane;phenol
CID 70556399

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol (CID 64811643) is 3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol is CCCCCCOCC(CO)(NCCC)c1ccccc1.
What is the InChIKey of 3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol?
The InChIKey is PVZFFRJGOLIUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-3-5-6-10-14-21-16-18(15-20,19-13-4-2)17-11-8-7-9-12-17/h7-9,11-12,19-20H,3-6,10,13-16H2,1-2H3.
What are the key properties of 3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol?
3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol has a molecular weight of 293.45 g/mol, XLogP of 3.47, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64811643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).