1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine

C13H21NO2 — CID 43213948

IUPAC1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
SMILESCCCOc1c(CNC)cccc1OCC
InChIInChI=1S/C13H21NO2/c1-4-9-16-13-11(10-14-3)7-6-8-12(13)15-5-2/h6-8,14H,4-5,9-10H2,1-3H3
InChIKeyOZAMOQJOHNWIAV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.59
Rot. Bonds7

About 1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine

1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine (PubChem CID 43213948) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
PubChem CID43213948
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
SMILESCCCOc1c(CNC)cccc1OCC
InChIInChI=1S/C13H21NO2/c1-4-9-16-13-11(10-14-3)7-6-8-12(13)15-5-2/h6-8,14H,4-5,9-10H2,1-3H3
InChIKeyOZAMOQJOHNWIAV-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-ethoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60883395
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491680
1-[3-methoxy-2-(2-propoxyethoxy)phenyl]-N-methylmethanamine
CID 106449857
1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 63934160
1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
CID 60881702
1-[3-ethoxy-2-(2-pyridin-3-ylethoxy)phenyl]-N-methylmethanamine
CID 63264581
1-[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]-N-methylmethanamine
CID 64750217
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
N-[[3-ethoxy-2-(3-fluoropropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81106292
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
3-ethoxy-2-propoxyphenol
CID 174814735

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine (CID 43213948) is 1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine is CCCOc1c(CNC)cccc1OCC.
What is the InChIKey of 1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine?
The InChIKey is OZAMOQJOHNWIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-9-16-13-11(10-14-3)7-6-8-12(13)15-5-2/h6-8,14H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine?
1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43213948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).