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

C20H27NO3 — CID 83974368

IUPAC3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2ccccc2OC)c(OCC)c1
InChIInChI=1S/C20H27NO3/c1-4-23-17-11-10-15(20(13-17)24-5-2)12-16(14-21)18-8-6-7-9-19(18)22-3/h6-11,13,16H,4-5,12,14,21H2,1-3H3
InChIKeyYNELPZWOFAIVHR-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.78
Rot. Bonds9

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

3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine (PubChem CID 83974368) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
PubChem CID83974368
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
SMILESCCOc1ccc(CC(CN)c2ccccc2OC)c(OCC)c1
InChIInChI=1S/C20H27NO3/c1-4-23-17-11-10-15(20(13-17)24-5-2)12-16(14-21)18-8-6-7-9-19(18)22-3/h6-11,13,16H,4-5,12,14,21H2,1-3H3
InChIKeyYNELPZWOFAIVHR-UHFFFAOYSA-N
XLogP3.78
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-diethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974449
3-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974436
3-(2,4-diethoxyphenyl)-2-(1H-indol-3-yl)propan-1-amine
CID 83976344
3-(2,4-diethoxyphenyl)-2-(2,5-dimethylphenyl)propan-1-amine
CID 83972953
4-[1-amino-3-(2,4-diethoxyphenyl)propan-2-yl]phenol
CID 83975416
2-(2,4-diethoxyphenyl)-3-(4-fluorophenyl)propan-1-amine
CID 83973179
3-(3-butoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974462
2-(2,4-diethoxyphenyl)-3-(3,5-dimethylphenyl)propan-1-amine
CID 83973201
3-(2,3-diethoxyphenyl)-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 112538999
3-(3-butoxy-4-methoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine
CID 83974356
2-(2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141447
3-(2,3-diethoxyphenyl)-2-(3-ethoxyphenyl)propan-1-amine
CID 83973334

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of 3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine (CID 83974368) is 3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine is CCOc1ccc(CC(CN)c2ccccc2OC)c(OCC)c1.
What is the InChIKey of 3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine?
The InChIKey is YNELPZWOFAIVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-4-23-17-11-10-15(20(13-17)24-5-2)12-16(14-21)18-8-6-7-9-19(18)22-3/h6-11,13,16H,4-5,12,14,21H2,1-3H3.
What are the key properties of 3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine?
3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diethoxyphenyl)-2-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 83974368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).