3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine

C19H25NO3 — CID 83972548

IUPAC3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
SMILESCCOc1c(CC(CN)c2ccc(OC)cc2)cccc1OC
InChIInChI=1S/C19H25NO3/c1-4-23-19-15(6-5-7-18(19)22-3)12-16(13-20)14-8-10-17(21-2)11-9-14/h5-11,16H,4,12-13,20H2,1-3H3
InChIKeyVETZWANKKCAATI-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.39
Rot. Bonds8

About 3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine

3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine (PubChem CID 83972548) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
PubChem CID83972548
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
SMILESCCOc1c(CC(CN)c2ccc(OC)cc2)cccc1OC
InChIInChI=1S/C19H25NO3/c1-4-23-19-15(6-5-7-18(19)22-3)12-16(13-20)14-8-10-17(21-2)11-9-14/h5-11,16H,4,12-13,20H2,1-3H3
InChIKeyVETZWANKKCAATI-UHFFFAOYSA-N
XLogP3.39
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
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
2-(4-methoxyphenyl)-3-(2-methoxy-3-propan-2-yloxyphenyl)propan-1-amine
CID 82160331
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83972538
2-(4-fluorophenyl)-3-(2-methoxy-3-propoxyphenyl)propan-1-amine
CID 82160452
3-(2-methoxy-3-propoxyphenyl)-2-(4-methylphenyl)propan-1-amine
CID 82160341
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine (CID 83972548) is 3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine is CCOc1c(CC(CN)c2ccc(OC)cc2)cccc1OC.
What is the InChIKey of 3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine?
The InChIKey is VETZWANKKCAATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-4-23-19-15(6-5-7-18(19)22-3)12-16(13-20)14-8-10-17(21-2)11-9-14/h5-11,16H,4,12-13,20H2,1-3H3.
What are the key properties of 3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine?
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine has a molecular weight of 315.41 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83972548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).