N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline

C13H21NO3 — CID 115917084

IUPACN-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline
SMILESCCOCC(C)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-5-17-9-10(2)14-11-6-7-12(15-3)13(8-11)16-4/h6-8,10,14H,5,9H2,1-4H3
InChIKeyVWNPBMPQDFSZIP-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.54
Rot. Bonds7

About N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline

N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline (PubChem CID 115917084) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline
PubChem CID115917084
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline
SMILESCCOCC(C)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H21NO3/c1-5-17-9-10(2)14-11-6-7-12(15-3)13(8-11)16-4/h6-8,10,14H,5,9H2,1-4H3
InChIKeyVWNPBMPQDFSZIP-UHFFFAOYSA-N
XLogP2.54
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline 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

4-ethoxy-3-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 62536992
N-(2,6-dimethylheptan-4-yl)-3,4-dimethoxyaniline
CID 29054156
3-(1-ethoxypropan-2-ylamino)-4-methoxybenzamide
CID 115928740
N-[1-(furan-2-yl)propan-2-yl]-3,4-dimethoxyaniline
CID 63099420
3-ethoxy-4-methoxy-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629532
N-(1-ethoxypropan-2-yl)-4-propylaniline
CID 115917220
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
methyl N-[3-(1-ethoxypropan-2-ylamino)phenyl]carbamate
CID 115918909
3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 115663718
4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
CID 43785298
3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
3-ethoxy-4-methoxy-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534427

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline?
The IUPAC name of N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline (CID 115917084) is N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline is CCOCC(C)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline?
The InChIKey is VWNPBMPQDFSZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-17-9-10(2)14-11-6-7-12(15-3)13(8-11)16-4/h6-8,10,14H,5,9H2,1-4H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline?
N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline has a molecular weight of 239.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline is sourced from PubChem (CID 115917084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).