4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol

C18H23NO3 — CID 83975456

IUPAC4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
SMILESCCOc1c(CC(CN)c2ccc(O)cc2)cccc1OC
InChIInChI=1S/C18H23NO3/c1-3-22-18-14(5-4-6-17(18)21-2)11-15(12-19)13-7-9-16(20)10-8-13/h4-10,15,20H,3,11-12,19H2,1-2H3
InChIKeyIHTGMDRUJMSCPH-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.08
Rot. Bonds7

About 4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol

4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol (PubChem CID 83975456) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol.

Molecular Properties

Compound Name4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
PubChem CID83975456
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
SMILESCCOc1c(CC(CN)c2ccc(O)cc2)cccc1OC
InChIInChI=1S/C18H23NO3/c1-3-22-18-14(5-4-6-17(18)21-2)11-15(12-19)13-7-9-16(20)10-8-13/h4-10,15,20H,3,11-12,19H2,1-2H3
InChIKeyIHTGMDRUJMSCPH-UHFFFAOYSA-N
XLogP3.08
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
CID 112538879
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol
CID 83975416
3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
CID 82160341
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
3-(2-ethoxy-3-methoxyphenyl)-2-phenylpropanoic acid
CID 20984694
2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
CID 82160331

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol?
The IUPAC name of 4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol (CID 83975456) is 4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol.
What is the SMILES notation for 4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol?
The canonical SMILES for 4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol is CCOc1c(CC(CN)c2ccc(O)cc2)cccc1OC.
What is the InChIKey of 4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol?
The InChIKey is IHTGMDRUJMSCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-22-18-14(5-4-6-17(18)21-2)11-15(12-19)13-7-9-16(20)10-8-13/h4-10,15,20H,3,11-12,19H2,1-2H3.
What are the key properties of 4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol?
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol has a molecular weight of 301.39 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol is sourced from PubChem (CID 83975456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).