1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol

C18H31NO2 — CID 62314096

IUPAC1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
SMILESCCCCCCOCC(O)CNCCc1cccc(C)c1
InChIInChI=1S/C18H31NO2/c1-3-4-5-6-12-21-15-18(20)14-19-11-10-17-9-7-8-16(2)13-17/h7-9,13,18-20H,3-6,10-12,14-15H2,1-2H3
InChIKeyIMLURRASIXSCSE-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.08
Rot. Bonds12

About 1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol

1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol (PubChem CID 62314096) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
PubChem CID62314096
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
SMILESCCCCCCOCC(O)CNCCc1cccc(C)c1
InChIInChI=1S/C18H31NO2/c1-3-4-5-6-12-21-15-18(20)14-19-11-10-17-9-7-8-16(2)13-17/h7-9,13,18-20H,3-6,10-12,14-15H2,1-2H3
InChIKeyIMLURRASIXSCSE-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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

1-cyclohexyloxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 62313548
1-hexoxy-3-[[3-(hydroxymethyl)phenyl]methylamino]propan-2-ol
CID 107230499
1-butoxy-3-(3-phenylpropylamino)propan-2-ol
CID 107262604
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-hexoxy-3-[2-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 80688585
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
(2R)-1-[2-(3-methylphenyl)ethylamino]propan-2-ol
CID 106932064
1-(3-ethoxypropylamino)-3-octoxypropan-2-ol
CID 60634251
1-(3-hydroxypropylamino)-3-octoxypropan-2-ol
CID 60634002
1-(hexoxymethyl)-3-methylbenzene
CID 91805813
1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol
CID 107093297

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol?
The IUPAC name of 1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol (CID 62314096) is 1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol?
The canonical SMILES for 1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol is CCCCCCOCC(O)CNCCc1cccc(C)c1.
What is the InChIKey of 1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol?
The InChIKey is IMLURRASIXSCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-3-4-5-6-12-21-15-18(20)14-19-11-10-17-9-7-8-16(2)13-17/h7-9,13,18-20H,3-6,10-12,14-15H2,1-2H3.
What are the key properties of 1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol?
1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol has a molecular weight of 293.45 g/mol, XLogP of 3.08, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-3-[2-(3-methylphenyl)ethylamino]propan-2-ol is sourced from PubChem (CID 62314096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).