3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol

C14H23NO2 — CID 83942562

IUPAC3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol
SMILESCCOc1ccc(CC)cc1C(CCO)NC
InChIInChI=1S/C14H23NO2/c1-4-11-6-7-14(17-5-2)12(10-11)13(15-3)8-9-16/h6-7,10,13,15-16H,4-5,8-9H2,1-3H3
InChIKeyRQDRBTJQMORXSZ-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.29
Rot. Bonds7

About 3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol

3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol (PubChem CID 83942562) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol
PubChem CID83942562
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol
SMILESCCOc1ccc(CC)cc1C(CCO)NC
InChIInChI=1S/C14H23NO2/c1-4-11-6-7-14(17-5-2)12(10-11)13(15-3)8-9-16/h6-7,10,13,15-16H,4-5,8-9H2,1-3H3
InChIKeyRQDRBTJQMORXSZ-UHFFFAOYSA-N
XLogP2.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(2-ethoxy-5-ethylphenyl)-2-(methylamino)butan-1-ol
CID 83942552
1-(5-ethyl-2-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949300
1-(5-ethyl-2-methoxyphenyl)-1-N-methylbutane-1,3-diamine
CID 116948870
1-(2-ethoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 62302323
3-[2-methoxy-5-(trifluoromethyl)phenyl]-3-(methylamino)propan-1-ol
CID 83921064
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
3-(5-chloro-4-methyl-2-propoxyphenyl)-3-(methylamino)propan-1-ol
CID 83937747
2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol
CID 83942544
3-(dimethylamino)-3-(4-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 83935225
(3R)-3-(5-ethyl-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 66730972
3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol
CID 83943179
1-(5-ethyl-2-methoxyphenyl)-N'-methylmethanediamine
CID 116939309

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol?
The IUPAC name of 3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol (CID 83942562) is 3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol?
The canonical SMILES for 3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol is CCOc1ccc(CC)cc1C(CCO)NC.
What is the InChIKey of 3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol?
The InChIKey is RQDRBTJQMORXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-11-6-7-14(17-5-2)12(10-11)13(15-3)8-9-16/h6-7,10,13,15-16H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol?
3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-5-ethylphenyl)-3-(methylamino)propan-1-ol is sourced from PubChem (CID 83942562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).