1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol

C14H23NO3 — CID 60633561

IUPAC1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNCCCO
InChIInChI=1S/C14H23NO3/c1-11-5-3-6-12(2)14(11)18-10-13(17)9-15-7-4-8-16/h3,5-6,13,15-17H,4,7-10H2,1-2H3
InChIKeyNBCFXEJPKWCGKH-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.02
Rot. Bonds8

About 1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol

1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol (PubChem CID 60633561) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol
PubChem CID60633561
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CNCCCO
InChIInChI=1S/C14H23NO3/c1-11-5-3-6-12(2)14(11)18-10-13(17)9-15-7-4-8-16/h3,5-6,13,15-17H,4,7-10H2,1-2H3
InChIKeyNBCFXEJPKWCGKH-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol
CID 60633323
1-(2,6-dimethylphenoxy)-3-(4-methoxybutylamino)propan-2-ol
CID 60969294
1-(2,6-dimethylphenoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211488
1-(2,6-dimethylphenoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63967301
1-(2,6-dimethylphenoxy)-3-(2-methylbutylamino)propan-2-ol
CID 62692017
1-anilino-3-(2,6-dimethylphenoxy)propan-2-ol
CID 60903981
1-(2,6-dimethylphenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106547035
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822
1-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 63296307
1-(2,6-dimethylphenoxy)-3-[(1-methylcyclobutyl)methylamino]propan-2-ol
CID 106813078
1-(3-chlorophenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633820
(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 8017015

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol (CID 60633561) is 1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol is Cc1cccc(C)c1OCC(O)CNCCCO.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol?
The InChIKey is NBCFXEJPKWCGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11-5-3-6-12(2)14(11)18-10-13(17)9-15-7-4-8-16/h3,5-6,13,15-17H,4,7-10H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol?
1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol has a molecular weight of 253.34 g/mol, XLogP of 1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol is sourced from PubChem (CID 60633561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).