N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine

C13H21NO2 — CID 107506620

IUPACN-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine
SMILESCCNC(COC)COc1ccc(C)cc1
InChIInChI=1S/C13H21NO2/c1-4-14-12(9-15-3)10-16-13-7-5-11(2)6-8-13/h5-8,12,14H,4,9-10H2,1-3H3
InChIKeyYXVAJXQOWCYWJZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.00
Rot. Bonds7

About N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine

N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine (PubChem CID 107506620) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine
PubChem CID107506620
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine
SMILESCCNC(COC)COc1ccc(C)cc1
InChIInChI=1S/C13H21NO2/c1-4-14-12(9-15-3)10-16-13-7-5-11(2)6-8-13/h5-8,12,14H,4,9-10H2,1-3H3
InChIKeyYXVAJXQOWCYWJZ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-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

N-ethyl-1-methoxy-3-(4-propoxyphenoxy)propan-2-amine
CID 107506697
1-(2,3-dihydro-1H-inden-5-yloxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506688
1-(2-tert-butyl-5-methylphenoxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506741
1-(4-chlorophenoxy)-3-methoxy-N-propylpropan-2-amine
CID 105165730
1-(2-ethoxyphenoxy)-N-ethyl-3-methoxypropan-2-amine
CID 107506539
1-(4-chlorophenoxy)-N-ethyl-3-propoxypropan-2-amine
CID 105165293
N-ethyl-1-(4-fluorophenoxy)butan-2-amine
CID 62038922
1-methoxy-3-[4-(2-methoxyethyl)phenoxy]-N-propylpropan-2-amine
CID 107506757
1-(2,4-dimethylphenyl)-N-ethyl-2-(4-methylphenoxy)ethanamine
CID 63474182
2-(ethylamino)-3-[4-(hydroxymethyl)phenoxy]propan-1-ol
CID 64808726
N-ethyl-1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-amine
CID 107506501
methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
CID 63040222

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine (CID 107506620) is N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine is CCNC(COC)COc1ccc(C)cc1.
What is the InChIKey of N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine?
The InChIKey is YXVAJXQOWCYWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-14-12(9-15-3)10-16-13-7-5-11(2)6-8-13/h5-8,12,14H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine?
N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-3-(4-methylphenoxy)propan-2-amine is sourced from PubChem (CID 107506620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).