N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine

C14H21NO2 — CID 55071667

IUPACN-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCCOc1cccc(CNC2CC2C)c1OC
InChIInChI=1S/C14H21NO2/c1-4-17-13-7-5-6-11(14(13)16-3)9-15-12-8-10(12)2/h5-7,10,12,15H,4,8-9H2,1-3H3
InChIKeyDCDJBRMAEUOLNH-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.59
Rot. Bonds6

About N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine

N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 55071667) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
PubChem CID55071667
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
SMILESCCOc1cccc(CNC2CC2C)c1OC
InChIInChI=1S/C14H21NO2/c1-4-17-13-7-5-6-11(14(13)16-3)9-15-12-8-10(12)2/h5-7,10,12,15H,4,8-9H2,1-3H3
InChIKeyDCDJBRMAEUOLNH-UHFFFAOYSA-N
XLogP2.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-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-[(3-ethoxy-2-methoxyphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 43434085
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624
N-[(3-ethoxy-2-methoxyphenyl)methyl]oxolan-3-amine
CID 80713225
N-[(3-ethoxy-2-methoxyphenyl)methyl]thiolan-3-amine
CID 103701615
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclopropan-1-amine
CID 113238202
1-cyclopropyl-N-[(3-ethoxy-2-methoxyphenyl)methyl]ethanamine
CID 43224478
(1R,2R,4R)-N-[(2,3-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 98109752
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2,5-dimethylpyrrol-1-amine
CID 79090813
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methoxyaniline
CID 43757786
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765654
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353060
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine (CID 55071667) is N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine is CCOc1cccc(CNC2CC2C)c1OC.
What is the InChIKey of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is DCDJBRMAEUOLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-13-7-5-6-11(14(13)16-3)9-15-12-8-10(12)2/h5-7,10,12,15H,4,8-9H2,1-3H3.
What are the key properties of N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine?
N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 55071667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).