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

C16H27NO2 — CID 60633323

IUPAC1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol
SMILESCCCCCNCC(O)COc1c(C)cccc1C
InChIInChI=1S/C16H27NO2/c1-4-5-6-10-17-11-15(18)12-19-16-13(2)8-7-9-14(16)3/h7-9,15,17-18H,4-6,10-12H2,1-3H3
InChIKeyTWMXTPUHYOXVSC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.82
Rot. Bonds9

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

1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol (PubChem CID 60633323) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol
PubChem CID60633323
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol
SMILESCCCCCNCC(O)COc1c(C)cccc1C
InChIInChI=1S/C16H27NO2/c1-4-5-6-10-17-11-15(18)12-19-16-13(2)8-7-9-14(16)3/h7-9,15,17-18H,4-6,10-12H2,1-3H3
InChIKeyTWMXTPUHYOXVSC-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.82
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-(2,6-dimethylphenoxy)-3-(3-hydroxypropylamino)propan-2-ol
CID 60633561
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-methylphenoxy)-3-(octylamino)propan-2-ol
CID 12548704
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-(3-bromophenoxy)-3-(octylamino)propan-2-ol
CID 115567734
1-(2,6-dimethylphenoxy)-3-(3-methylbut-2-enylamino)propan-2-ol
CID 106547035
1-(2,6-dichlorophenoxy)-3-(propylamino)propan-2-ol
CID 60634254
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-(2,5-dichlorophenoxy)-3-(hexylamino)propan-2-ol
CID 60635678

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol (CID 60633323) is 1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol is CCCCCNCC(O)COc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol?
The InChIKey is TWMXTPUHYOXVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-6-10-17-11-15(18)12-19-16-13(2)8-7-9-14(16)3/h7-9,15,17-18H,4-6,10-12H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol?
1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-3-(pentylamino)propan-2-ol is sourced from PubChem (CID 60633323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).