1-ethoxy-N-methyl-3-phenoxypropan-2-amine

C12H19NO2 — CID 79574032

IUPAC1-ethoxy-N-methyl-3-phenoxypropan-2-amine
SMILESCCOCC(COc1ccccc1)NC
InChIInChI=1S/C12H19NO2/c1-3-14-9-11(13-2)10-15-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKeyLMIVPJADNKISGM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.69
Rot. Bonds7

About 1-ethoxy-N-methyl-3-phenoxypropan-2-amine

1-ethoxy-N-methyl-3-phenoxypropan-2-amine (PubChem CID 79574032) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-ethoxy-N-methyl-3-phenoxypropan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-methyl-3-phenoxypropan-2-amine
PubChem CID79574032
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name1-ethoxy-N-methyl-3-phenoxypropan-2-amine
SMILESCCOCC(COc1ccccc1)NC
InChIInChI=1S/C12H19NO2/c1-3-14-9-11(13-2)10-15-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKeyLMIVPJADNKISGM-UHFFFAOYSA-N
XLogP1.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethoxy-N-methyl-3-phenoxypropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-N-methyl-3-(2-phenoxyethoxy)propan-2-amine
CID 107506641
4-ethoxy-N-ethyl-1-phenoxybutan-2-amine
CID 115001987
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
N-methyl-1-phenoxynonan-2-amine
CID 63416660
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
1-ethoxypropan-2-ol;1-phenoxypropan-2-ol
CID 70813597
ethoxybenzene;ethoxyethane
CID 67764259
1-phenoxy-N-propan-2-ylbutan-2-amine
CID 115905778
N-methyl-1-phenoxy-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 62715678
5-methoxy-N,5-dimethyl-1-phenoxyhexan-2-amine
CID 103031640
1-cyclohexyl-N-methyl-3-phenoxypropan-2-amine
CID 62716713
2-(methylamino)-3-(4-phenylphenoxy)propan-1-ol
CID 64809575

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-methyl-3-phenoxypropan-2-amine?
The IUPAC name of 1-ethoxy-N-methyl-3-phenoxypropan-2-amine (CID 79574032) is 1-ethoxy-N-methyl-3-phenoxypropan-2-amine.
What is the SMILES notation for 1-ethoxy-N-methyl-3-phenoxypropan-2-amine?
The canonical SMILES for 1-ethoxy-N-methyl-3-phenoxypropan-2-amine is CCOCC(COc1ccccc1)NC.
What is the InChIKey of 1-ethoxy-N-methyl-3-phenoxypropan-2-amine?
The InChIKey is LMIVPJADNKISGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-14-9-11(13-2)10-15-12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3.
What are the key properties of 1-ethoxy-N-methyl-3-phenoxypropan-2-amine?
1-ethoxy-N-methyl-3-phenoxypropan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-methyl-3-phenoxypropan-2-amine is sourced from PubChem (CID 79574032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).