3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine

C21H29NO2 — CID 83973025

IUPAC3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2ccc(CC)cc2)cc1OCC
InChIInChI=1S/C21H29NO2/c1-4-16-7-10-18(11-8-16)19(15-22)13-17-9-12-20(23-5-2)21(14-17)24-6-3/h7-12,14,19H,4-6,13,15,22H2,1-3H3
InChIKeyPLUOLWZXTCEIRS-UHFFFAOYSA-N
MW327.47 g/mol
LogP4.33
Rot. Bonds9

About 3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine

3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine (PubChem CID 83973025) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
PubChem CID83973025
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2ccc(CC)cc2)cc1OCC
InChIInChI=1S/C21H29NO2/c1-4-16-7-10-18(11-8-16)19(15-22)13-17-9-12-20(23-5-2)21(14-17)24-6-3/h7-12,14,19H,4-6,13,15,22H2,1-3H3
InChIKeyPLUOLWZXTCEIRS-UHFFFAOYSA-N
XLogP4.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107
3-(4-ethoxy-3-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 83973627
3-(3,4-diethoxyphenyl)-2-(3-methoxyphenyl)propan-1-amine
CID 83972590
2-(3,4-difluorophenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 112538891
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597
3-(4-ethoxy-3-methoxyphenyl)-2-(2-ethoxy-5-methylphenyl)propan-1-amine
CID 83974529
3-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylphenyl)propan-1-amine
CID 83977058
3-(4-chlorophenyl)-2-(4-ethoxy-3-methylphenyl)propan-1-amine
CID 83974093
4-[3-amino-2-(3-chloro-4-ethoxyphenyl)propyl]-2-chlorophenol
CID 83973519
3-(3-chloro-4-ethoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973712
2-(2,4-dimethylphenyl)-3-(3-ethoxy-4-propoxyphenyl)propan-1-amine
CID 83972845

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine?
The IUPAC name of 3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine (CID 83973025) is 3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine is CCOc1ccc(CC(CN)c2ccc(CC)cc2)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine?
The InChIKey is PLUOLWZXTCEIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO2/c1-4-16-7-10-18(11-8-16)19(15-22)13-17-9-12-20(23-5-2)21(14-17)24-6-3/h7-12,14,19H,4-6,13,15,22H2,1-3H3.
What are the key properties of 3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine?
3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine has a molecular weight of 327.47 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-2-(4-ethylphenyl)propan-1-amine is sourced from PubChem (CID 83973025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).