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

C21H29NO3 — CID 83973413

IUPAC3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(C(CN)Cc2cccc(OC)c2OCC)c1
InChIInChI=1S/C21H29NO3/c1-4-12-25-19-10-6-8-16(14-19)18(15-22)13-17-9-7-11-20(23-3)21(17)24-5-2/h6-11,14,18H,4-5,12-13,15,22H2,1-3H3
InChIKeyZAUCBKQRSQHTKP-UHFFFAOYSA-N
MW343.47 g/mol
LogP4.17
Rot. Bonds10

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

3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine (PubChem CID 83973413) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
PubChem CID83973413
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine
SMILESCCCOc1cccc(C(CN)Cc2cccc(OC)c2OCC)c1
InChIInChI=1S/C21H29NO3/c1-4-12-25-19-10-6-8-16(14-19)18(15-22)13-17-9-7-11-20(23-3)21(17)24-5-2/h6-11,14,18H,4-5,12-13,15,22H2,1-3H3
InChIKeyZAUCBKQRSQHTKP-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-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334
3-(2-ethoxy-3-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-amine
CID 83972548
3-(2-ethoxy-3-methoxyphenyl)-2-(4-fluorophenyl)propan-1-amine
CID 83973795
2-(4-ethoxy-3-fluorophenyl)-3-(2-ethoxy-3-methoxyphenyl)propan-1-amine
CID 112538879
4-[1-amino-3-(2-ethoxy-3-methoxyphenyl)propan-2-yl]phenol
CID 83975456
2-(3-methoxyphenyl)-3-(3-propoxyphenyl)propan-1-amine
CID 83972606
2-(3-methoxyphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83972609
2-(3-methoxyphenyl)-3-(4-methoxy-3-propoxyphenyl)propan-1-amine
CID 83972587
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
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene
CID 63543351
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine (CID 83973413) is 3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine is CCCOc1cccc(C(CN)Cc2cccc(OC)c2OCC)c1.
What is the InChIKey of 3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine?
The InChIKey is ZAUCBKQRSQHTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-4-12-25-19-10-6-8-16(14-19)18(15-22)13-17-9-7-11-20(23-3)21(17)24-5-2/h6-11,14,18H,4-5,12-13,15,22H2,1-3H3.
What are the key properties of 3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine?
3-(2-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)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-ethoxy-3-methoxyphenyl)-2-(3-propoxyphenyl)propan-1-amine is sourced from PubChem (CID 83973413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).