3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine

C21H29NO3 — CID 83973334

IUPAC3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
SMILESCCOc1cccc(C(CN)Cc2cccc(OCC)c2OCC)c1
InChIInChI=1S/C21H29NO3/c1-4-23-19-11-7-9-16(14-19)18(15-22)13-17-10-8-12-20(24-5-2)21(17)25-6-3/h7-12,14,18H,4-6,13,15,22H2,1-3H3
InChIKeyPJPRVPVHRGVDGC-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.17
Rot. Bonds10

About 3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine

3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine (PubChem CID 83973334) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
PubChem CID83973334
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
SMILESCCOc1cccc(C(CN)Cc2cccc(OCC)c2OCC)c1
InChIInChI=1S/C21H29NO3/c1-4-23-19-11-7-9-16(14-19)18(15-22)13-17-10-8-12-20(24-5-2)21(17)25-6-3/h7-12,14,18H,4-6,13,15,22H2,1-3H3
InChIKeyPJPRVPVHRGVDGC-UHFFFAOYSA-N
XLogP4.17
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
CID 83973413
2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
CID 112538879
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
3-(2,3-diethoxyphenyl)-2-(2,5-difluorophenyl)propan-1-amine
CID 83975628
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
3-(3-chlorophenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973269
2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
CID 20546345
3-(3-ethoxyphenyl)-2-(3-phenoxyphenyl)propan-1-amine
CID 112538857
2-(4-ethoxy-3-fluorophenyl)-3-naphthalen-1-ylpropan-1-amine
CID 83973596
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine (CID 83973334) is 3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine is CCOc1cccc(C(CN)Cc2cccc(OCC)c2OCC)c1.
What is the InChIKey of 3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine?
The InChIKey is PJPRVPVHRGVDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-4-23-19-11-7-9-16(14-19)18(15-22)13-17-10-8-12-20(24-5-2)21(17)25-6-3/h7-12,14,18H,4-6,13,15,22H2,1-3H3.
What are the key properties of 3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine?
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine has a molecular weight of 343.47 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).