1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol

C16H27NO2 — CID 82314062

IUPAC1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C(C)C)C(O)c1ccc(OCC)cc1
InChIInChI=1S/C16H27NO2/c1-5-11-17-15(12(3)4)16(18)13-7-9-14(10-8-13)19-6-2/h7-10,12,15-18H,5-6,11H2,1-4H3
InChIKeyWUJSOCFBOUPLME-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.14
Rot. Bonds8

About 1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol

1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol (PubChem CID 82314062) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
PubChem CID82314062
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
SMILESCCCNC(C(C)C)C(O)c1ccc(OCC)cc1
InChIInChI=1S/C16H27NO2/c1-5-11-17-15(12(3)4)16(18)13-7-9-14(10-8-13)19-6-2/h7-10,12,15-18H,5-6,11H2,1-4H3
InChIKeyWUJSOCFBOUPLME-UHFFFAOYSA-N
XLogP3.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-2-(2-hydroxyethylamino)-3-methylbutan-1-ol
CID 82314059
1-(4-butan-2-ylphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315957
methyl 4-(4-ethoxyphenyl)-4-hydroxy-3-(propylamino)butanoate
CID 82348433
2-(ethylamino)-3-methyl-1-[4-(2-methylprop-2-enoxy)phenyl]butan-1-ol
CID 82314724
1-(2,4-dimethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol
CID 82315282
2-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-3-amine
CID 79299162
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
3-(4-ethoxyphenyl)-3-(propylamino)propan-1-ol
CID 64812605
1-(4-ethoxyphenyl)-2,2-difluoroethanol
CID 80604264
1-(4-ethoxyphenyl)-2-(2-methylpropylamino)butan-1-ol
CID 82314041
1-(4-ethoxyphenyl)-3-methyl-N-propylpentan-1-amine
CID 114874341
1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol
CID 82315715

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol?
The IUPAC name of 1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol (CID 82314062) is 1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol is CCCNC(C(C)C)C(O)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol?
The InChIKey is WUJSOCFBOUPLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-5-11-17-15(12(3)4)16(18)13-7-9-14(10-8-13)19-6-2/h7-10,12,15-18H,5-6,11H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol?
1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-methyl-2-(propylamino)butan-1-ol is sourced from PubChem (CID 82314062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).