1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine

C12H19NO3 — CID 175788959

IUPAC1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
SMILESCCOc1cc(C(C)N)cc(OC)c1OC
InChIInChI=1S/C12H19NO3/c1-5-16-11-7-9(8(2)13)6-10(14-3)12(11)15-4/h6-8H,5,13H2,1-4H3
InChIKeyFFFVIDLFTJVRJS-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.12
Rot. Bonds5

About 1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine

1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine (PubChem CID 175788959) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
PubChem CID175788959
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine
SMILESCCOc1cc(C(C)N)cc(OC)c1OC
InChIInChI=1S/C12H19NO3/c1-5-16-11-7-9(8(2)13)6-10(14-3)12(11)15-4/h6-8H,5,13H2,1-4H3
InChIKeyFFFVIDLFTJVRJS-UHFFFAOYSA-N
XLogP2.12
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
1-[3,5-di(butan-2-yl)-4-ethoxyphenyl]ethanamine
CID 3589043
ethyl (2S)-2-(3,4,5-trimethoxyphenyl)propanoate
CID 95479616
5-(1-aminoethyl)-2,3-dimethoxybenzaldehyde
CID 117298695
1-(3,4,5-trimethoxyphenyl)butane-1,3-diamine
CID 116933323
1-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanamine
CID 117343739
1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
CID 84706946
(1R)-1-(4-cyclopropyl-3,5-diethoxyphenyl)ethanamine
CID 155595631
(1R)-2-fluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 28820340
(1S)-4-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 171219160
(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutan-1-amine
CID 171210844

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine?
The IUPAC name of 1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine (CID 175788959) is 1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for 1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine is CCOc1cc(C(C)N)cc(OC)c1OC.
What is the InChIKey of 1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine?
The InChIKey is FFFVIDLFTJVRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-5-16-11-7-9(8(2)13)6-10(14-3)12(11)15-4/h6-8H,5,13H2,1-4H3.
What are the key properties of 1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine?
1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine has a molecular weight of 225.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 175788959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).