3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline

C13H21NO2 — CID 115663718

IUPAC3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
SMILESCCOc1cc(NC(C)COC)ccc1C
InChIInChI=1S/C13H21NO2/c1-5-16-13-8-12(7-6-10(13)2)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3
InChIKeyCIMNZSWTAGCXEJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.84
Rot. Bonds6

About 3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline

3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline (PubChem CID 115663718) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline.

Molecular Properties

Compound Name3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
PubChem CID115663718
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
SMILESCCOc1cc(NC(C)COC)ccc1C
InChIInChI=1S/C13H21NO2/c1-5-16-13-8-12(7-6-10(13)2)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3
InChIKeyCIMNZSWTAGCXEJ-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline 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
3-chloro-4-ethoxy-N-(1-methoxypropan-2-yl)aniline
CID 62534724
2-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline
CID 62535868
1-(3-ethoxy-4-methylphenyl)-3-(2-methoxyethyl)urea
CID 56824215
N-(1-ethoxypropan-2-yl)-3,4-dimethoxyaniline
CID 115917084
N-(1-methoxypropan-2-yl)-4-nitro-3-propoxyaniline
CID 63671759
3-ethoxy-4-methoxy-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629532
2-chloro-4-[[(2R)-1-methoxypropan-2-yl]amino]benzonitrile
CID 94473129
4-ethoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzenesulfonamide
CID 37478664
5-(1-methoxypropan-2-ylamino)-2-nitrobenzonitrile
CID 115348787
3-(3-ethoxy-4-methylphenyl)-1-methoxy-1-methylurea
CID 117059873
N-(1-methoxypropan-2-yl)-4-phenylaniline
CID 62536989

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline?
The IUPAC name of 3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline (CID 115663718) is 3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline.
What is the SMILES notation for 3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline?
The canonical SMILES for 3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline is CCOc1cc(NC(C)COC)ccc1C.
What is the InChIKey of 3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline?
The InChIKey is CIMNZSWTAGCXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-5-16-13-8-12(7-6-10(13)2)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3.
What are the key properties of 3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline?
3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline has a molecular weight of 223.32 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-methoxypropan-2-yl)-4-methylaniline is sourced from PubChem (CID 115663718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).