3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol

C14H23NO3 — CID 82315821

IUPAC3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol
SMILESCOc1cc(C)c(C(O)CNCCCO)c(C)c1
InChIInChI=1S/C14H23NO3/c1-10-7-12(18-3)8-11(2)14(10)13(17)9-15-5-4-6-16/h7-8,13,15-17H,4-6,9H2,1-3H3
InChIKeyKSNYYZMLTATPQM-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.32
Rot. Bonds7

About 3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol

3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol (PubChem CID 82315821) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol
PubChem CID82315821
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol
SMILESCOc1cc(C)c(C(O)CNCCCO)c(C)c1
InChIInChI=1S/C14H23NO3/c1-10-7-12(18-3)8-11(2)14(10)13(17)9-15-5-4-6-16/h7-8,13,15-17H,4-6,9H2,1-3H3
InChIKeyKSNYYZMLTATPQM-UHFFFAOYSA-N
XLogP1.32
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.32
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-(4-methoxy-2,6-dimethylphenyl)-2-(3-methylbutylamino)ethanol
CID 82315854
3-[[2-hydroxy-2-(2,3,5,6-tetramethylphenyl)ethyl]amino]propan-1-ol
CID 82315649
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 82315829
6-[[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]amino]hexan-1-ol
CID 107851809
2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
1-(4-methoxy-2,6-dimethylphenyl)butane-1,2,4-triol
CID 171872645
3-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 82312246
2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol
CID 112510446
4-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]butan-1-ol
CID 106841822
ethane;3-(4-methoxy-2,6-dimethylphenoxy)propan-1-ol
CID 91115975
1-(4-methoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanol
CID 82216996

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol?
The IUPAC name of 3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol (CID 82315821) is 3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol?
The canonical SMILES for 3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol is COc1cc(C)c(C(O)CNCCCO)c(C)c1.
What is the InChIKey of 3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol?
The InChIKey is KSNYYZMLTATPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10-7-12(18-3)8-11(2)14(10)13(17)9-15-5-4-6-16/h7-8,13,15-17H,4-6,9H2,1-3H3.
What are the key properties of 3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol?
3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol has a molecular weight of 253.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-2-(4-methoxy-2,6-dimethylphenyl)ethyl]amino]propan-1-ol is sourced from PubChem (CID 82315821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).