1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol

C15H25NO2 — CID 78966982

IUPAC1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
SMILESCOc1cccc(C(O)CNCCCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-12(2)6-5-9-16-11-15(17)13-7-4-8-14(10-13)18-3/h4,7-8,10,12,15-17H,5-6,9,11H2,1-3H3
InChIKeyKULCGQHOKNGFBC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.75
Rot. Bonds8

About 1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol

1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol (PubChem CID 78966982) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
PubChem CID78966982
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
SMILESCOc1cccc(C(O)CNCCCC(C)C)c1
InChIInChI=1S/C15H25NO2/c1-12(2)6-5-9-16-11-15(17)13-7-4-8-14(10-13)18-3/h4,7-8,10,12,15-17H,5-6,9,11H2,1-3H3
InChIKeyKULCGQHOKNGFBC-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.75
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-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea
CID 111115159
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
1-(3-fluorophenyl)-2-(5-methylhexylamino)ethanol
CID 115325304
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 81133898
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]pentan-1-ol
CID 81135224
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol?
The IUPAC name of 1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol (CID 78966982) is 1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol is COc1cccc(C(O)CNCCCC(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol?
The InChIKey is KULCGQHOKNGFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)6-5-9-16-11-15(17)13-7-4-8-14(10-13)18-3/h4,7-8,10,12,15-17H,5-6,9,11H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol?
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol has a molecular weight of 251.37 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol is sourced from PubChem (CID 78966982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).