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

C13H21NO3 — CID 117351336

IUPAC2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
SMILESCCOc1c(C(C)CN)ccc(OC)c1OC
InChIInChI=1S/C13H21NO3/c1-5-17-12-10(9(2)8-14)6-7-11(15-3)13(12)16-4/h6-7,9H,5,8,14H2,1-4H3
InChIKeyCAGKQWVLKRELQC-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.16
Rot. Bonds6

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

2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine (PubChem CID 117351336) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
PubChem CID117351336
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
SMILESCCOc1c(C(C)CN)ccc(OC)c1OC
InChIInChI=1S/C13H21NO3/c1-5-17-12-10(9(2)8-14)6-7-11(15-3)13(12)16-4/h6-7,9H,5,8,14H2,1-4H3
InChIKeyCAGKQWVLKRELQC-UHFFFAOYSA-N
XLogP2.16
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethoxy-3,4-dimethoxyphenyl)butan-1-amine
CID 117386607
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
2-(2,4-dimethoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117347645
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 66070513
4-(2,3,4-trimethoxyphenyl)pentanenitrile
CID 83934096
2-ethoxy-3-iodo-1,4-dimethoxybenzene
CID 118824660
2-(2-methoxy-3-propan-2-ylphenyl)propan-1-amine
CID 117296766
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
(1R)-4-methyl-1-(2,3,4-trimethoxyphenyl)pentan-1-amine
CID 171199872
2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol
CID 83934134
2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65185942

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine?
The IUPAC name of 2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine (CID 117351336) is 2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine.
What is the SMILES notation for 2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine?
The canonical SMILES for 2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine is CCOc1c(C(C)CN)ccc(OC)c1OC.
What is the InChIKey of 2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine?
The InChIKey is CAGKQWVLKRELQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-17-12-10(9(2)8-14)6-7-11(15-3)13(12)16-4/h6-7,9H,5,8,14H2,1-4H3.
What are the key properties of 2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine?
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine has a molecular weight of 239.31 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine is sourced from PubChem (CID 117351336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).