2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine

C20H27NO3 — CID 82141576

IUPAC2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine
SMILESCCc1ccc(OC)c(CC(CN)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C20H27NO3/c1-5-14-6-8-19(23-3)15(10-14)11-16(13-21)18-12-17(22-2)7-9-20(18)24-4/h6-10,12,16H,5,11,13,21H2,1-4H3
InChIKeyJALNWTDUEZGIDT-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.56
Rot. Bonds8

About 2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine

2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine (PubChem CID 82141576) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine
PubChem CID82141576
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine
SMILESCCc1ccc(OC)c(CC(CN)c2cc(OC)ccc2OC)c1
InChIInChI=1S/C20H27NO3/c1-5-14-6-8-19(23-3)15(10-14)11-16(13-21)18-12-17(22-2)7-9-20(18)24-4/h6-10,12,16H,5,11,13,21H2,1-4H3
InChIKeyJALNWTDUEZGIDT-UHFFFAOYSA-N
XLogP3.56
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 82139945
2-(2,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 112508412
2-(5-tert-butyl-2-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 83975035
3-(5-bromo-2-methoxyphenyl)-2-(4-ethylphenyl)propan-1-amine
CID 112538811
2-(2,5-dimethoxyphenyl)-3-(furan-2-yl)propan-1-amine
CID 112509189
3-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenyl)propan-1-amine
CID 83974436
2-(2,6-dichlorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83975308
2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83973696
2-(2-methoxy-5-methylphenyl)-3-(4-propoxyphenyl)propan-1-amine
CID 83974613
1-(2,5-dimethoxyphenyl)-2-methylpropane-1,3-diamine
CID 116933051
N'-[(5-ethyl-2-methoxyphenyl)methyl]methanediamine
CID 115225717
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-amine
CID 83942714

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine (CID 82141576) is 2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine is CCc1ccc(OC)c(CC(CN)c2cc(OC)ccc2OC)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine?
The InChIKey is JALNWTDUEZGIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-5-14-6-8-19(23-3)15(10-14)11-16(13-21)18-12-17(22-2)7-9-20(18)24-4/h6-10,12,16H,5,11,13,21H2,1-4H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine?
2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine has a molecular weight of 329.44 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 82141576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).