4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol

C15H26N2O2 — CID 83942552

IUPAC4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol
SMILESCCOc1ccc(CC)cc1C(O)C(CCN)NC
InChIInChI=1S/C15H26N2O2/c1-4-11-6-7-14(19-5-2)12(10-11)15(18)13(17-3)8-9-16/h6-7,10,13,15,17-18H,4-5,8-9,16H2,1-3H3
InChIKeyOXKZWZQAFODMKW-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.62
Rot. Bonds8

About 4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol

4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol (PubChem CID 83942552) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol
PubChem CID83942552
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol
SMILESCCOc1ccc(CC)cc1C(O)C(CCN)NC
InChIInChI=1S/C15H26N2O2/c1-4-11-6-7-14(19-5-2)12(10-11)15(18)13(17-3)8-9-16/h6-7,10,13,15,17-18H,4-5,8-9,16H2,1-3H3
InChIKeyOXKZWZQAFODMKW-UHFFFAOYSA-N
XLogP1.62
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(3-bromo-4-ethoxyphenyl)-2-(methylamino)butan-1-ol
CID 83926197
3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol
CID 83942562
1-(5-ethyl-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949300
1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol
CID 82315218
2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol
CID 83942544
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309
4-(4-ethoxy-3-fluorophenyl)-3-methylbutan-1-amine
CID 116924857
2-[(2-ethoxy-5-ethylphenyl)methyl]propane-1,3-diamine
CID 83942546
4-(5-ethyl-2-methoxyphenyl)pentan-1-amine
CID 112512089
1-(2-ethoxy-5-methylphenyl)-2-(propylamino)butan-1-ol
CID 82315202
(2-ethoxy-4-ethylphenyl)hydrazine
CID 130960930

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol (CID 83942552) is 4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol is CCOc1ccc(CC)cc1C(O)C(CCN)NC.
What is the InChIKey of 4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol?
The InChIKey is OXKZWZQAFODMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-11-6-7-14(19-5-2)12(10-11)15(18)13(17-3)8-9-16/h6-7,10,13,15,17-18H,4-5,8-9,16H2,1-3H3.
What are the key properties of 4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol?
4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 83942552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).