3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine

C13H21NO3 — CID 171474993

IUPAC3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
SMILESCCOc1cc(OC)c(CCCN)cc1OC
InChIInChI=1S/C13H21NO3/c1-4-17-13-9-11(15-2)10(6-5-7-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3
InChIKeyVGLZQACELXOEPZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.99
Rot. Bonds7

About 3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine

3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine (PubChem CID 171474993) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
PubChem CID171474993
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine
SMILESCCOc1cc(OC)c(CCCN)cc1OC
InChIInChI=1S/C13H21NO3/c1-4-17-13-9-11(15-2)10(6-5-7-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3
InChIKeyVGLZQACELXOEPZ-UHFFFAOYSA-N
XLogP1.99
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
3-[4-(1-fluoroethyl)-2,5-dimethoxyphenyl]propan-1-amine
CID 117355471
4-(2,5-dimethoxy-4-propan-2-yloxyphenyl)butan-1-amine
CID 117422151
3-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]propan-1-amine
CID 117355470
3-(4-ethyl-2-methoxyphenyl)propan-1-amine
CID 83878516
2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethanamine
CID 112720413
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
3-(5,6-diethoxy-1H-indol-3-yl)propan-1-amine
CID 83948710
3-(4,5-dimethoxy-2-methylsulfonylphenyl)propan-1-amine
CID 117436174
3-(2,5-dimethoxy-4-piperidin-1-ylphenyl)propan-1-amine
CID 117446608
2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid
CID 117426372

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine (CID 171474993) is 3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine is CCOc1cc(OC)c(CCCN)cc1OC.
What is the InChIKey of 3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine?
The InChIKey is VGLZQACELXOEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-17-13-9-11(15-2)10(6-5-7-14)8-12(13)16-3/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine?
3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-2,5-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 171474993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).