1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol

C15H25NO3 — CID 82314059

IUPAC1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol
SMILESCCOc1ccc(C(O)C(NCCO)C(C)C)cc1
InChIInChI=1S/C15H25NO3/c1-4-19-13-7-5-12(6-8-13)15(18)14(11(2)3)16-9-10-17/h5-8,11,14-18H,4,9-10H2,1-3H3
InChIKeyCOROIFWJMSVPJQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.73
Rot. Bonds8

About 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol

1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol (PubChem CID 82314059) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol
PubChem CID82314059
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol
SMILESCCOc1ccc(C(O)C(NCCO)C(C)C)cc1
InChIInChI=1S/C15H25NO3/c1-4-19-13-7-5-12(6-8-13)15(18)14(11(2)3)16-9-10-17/h5-8,11,14-18H,4,9-10H2,1-3H3
InChIKeyCOROIFWJMSVPJQ-UHFFFAOYSA-N
XLogP1.73
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82314062
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol
CID 82314724
2-[2-(2-hydroxyethoxy)ethylamino]-3-methyl-1-(4-methylphenyl)butan-1-ol
CID 82312437
2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine
CID 79299162
1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315957
1-(4-ethoxyphenyl)-2,2-difluoroethanol
CID 80604264
1-(4-ethoxyphenyl)-2-(2-methylpropylamino)butan-1-ol
CID 82314041
3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
CID 64812605
4-[[1-(4-ethoxyphenyl)-1-hydroxypropan-2-yl]amino]butanoic acid
CID 82314024
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
CID 43088463
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol?
The IUPAC name of 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol (CID 82314059) is 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol is CCOc1ccc(C(O)C(NCCO)C(C)C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol?
The InChIKey is COROIFWJMSVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-19-13-7-5-12(6-8-13)15(18)14(11(2)3)16-9-10-17/h5-8,11,14-18H,4,9-10H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol?
1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 1.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 82314059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).