N-(3-ethoxypropyl)-3-(methoxymethyl)aniline

C13H21NO2 — CID 65175337

IUPACN-(3-ethoxypropyl)-3-(methoxymethyl)aniline
SMILESCCOCCCNc1cccc(COC)c1
InChIInChI=1S/C13H21NO2/c1-3-16-9-5-8-14-13-7-4-6-12(10-13)11-15-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3
InChIKeyXRXIUSJHBUACNE-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.67
Rot. Bonds8

About N-(3-ethoxypropyl)-3-(methoxymethyl)aniline

N-(3-ethoxypropyl)-3-(methoxymethyl)aniline (PubChem CID 65175337) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-(methoxymethyl)aniline
PubChem CID65175337
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(3-ethoxypropyl)-3-(methoxymethyl)aniline
SMILESCCOCCCNc1cccc(COC)c1
InChIInChI=1S/C13H21NO2/c1-3-16-9-5-8-14-13-7-4-6-12(10-13)11-15-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3
InChIKeyXRXIUSJHBUACNE-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethoxypropyl)-3-(methoxymethyl)aniline 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

3-(methoxymethyl)-N-(4,4,4-trifluorobutyl)aniline
CID 113326329
N-(2-tert-butylsulfanylethyl)-3-(methoxymethyl)aniline
CID 114271274
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
3-(methoxymethyl)-N-methylaniline
CID 23080905
3-methoxy-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409360
N-(2-butoxyethyl)-3-ethylaniline
CID 61483073
N-(12-ethoxydodecyl)aniline
CID 54545171
N'-tert-butyl-N-[3-(2-methoxyethoxymethyl)phenyl]ethane-1,2-diamine
CID 107445342
1-(4-ethoxybutyl)-3-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]guanidine
CID 111944647
(2S)-1-[3-(methoxymethyl)anilino]propan-2-ol
CID 106931972
N-(3-ethoxypropyl)-4-fluoro-3-methylaniline
CID 65175339
3-(methoxymethyl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328403

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-(methoxymethyl)aniline?
The IUPAC name of N-(3-ethoxypropyl)-3-(methoxymethyl)aniline (CID 65175337) is N-(3-ethoxypropyl)-3-(methoxymethyl)aniline.
What is the SMILES notation for N-(3-ethoxypropyl)-3-(methoxymethyl)aniline?
The canonical SMILES for N-(3-ethoxypropyl)-3-(methoxymethyl)aniline is CCOCCCNc1cccc(COC)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-(methoxymethyl)aniline?
The InChIKey is XRXIUSJHBUACNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-16-9-5-8-14-13-7-4-6-12(10-13)11-15-2/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-3-(methoxymethyl)aniline?
N-(3-ethoxypropyl)-3-(methoxymethyl)aniline has a molecular weight of 223.32 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-(methoxymethyl)aniline is sourced from PubChem (CID 65175337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).