4-ethoxy-N-(3-ethoxypropyl)aniline

C13H21NO2 — CID 65176310

IUPAC4-ethoxy-N-(3-ethoxypropyl)aniline
SMILESCCOCCCNc1ccc(OCC)cc1
InChIInChI=1S/C13H21NO2/c1-3-15-11-5-10-14-12-6-8-13(9-7-12)16-4-2/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyFBPLECDQFZJMIN-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.92
Rot. Bonds8

About 4-ethoxy-N-(3-ethoxypropyl)aniline

4-ethoxy-N-(3-ethoxypropyl)aniline (PubChem CID 65176310) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-ethoxy-N-(3-ethoxypropyl)aniline.

Molecular Properties

Compound Name4-ethoxy-N-(3-ethoxypropyl)aniline
PubChem CID65176310
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-ethoxy-N-(3-ethoxypropyl)aniline
SMILESCCOCCCNc1ccc(OCC)cc1
InChIInChI=1S/C13H21NO2/c1-3-15-11-5-10-14-12-6-8-13(9-7-12)16-4-2/h6-9,14H,3-5,10-11H2,1-2H3
InChIKeyFBPLECDQFZJMIN-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-4-methylaniline
CID 65176643
4-bromo-N-(3-ethoxypropyl)aniline
CID 65176368
4-butoxy-N-butylaniline
CID 15112153
N-(3-ethoxypropyl)-4-(trifluoromethyl)aniline
CID 62648259
N-[4-(3-ethoxypropylamino)phenyl]acetamide
CID 65176145
4-ethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561328
4-(4-ethoxyanilino)butanenitrile
CID 28569601
N'-(4-ethoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 2205364
5-(3-ethoxypropylamino)pyridine-2-carbonitrile
CID 79840049
4-(2-ethoxyethoxy)-N-ethylaniline
CID 54801151
1-[4-(3-ethoxypropylamino)phenyl]propan-1-one
CID 114066648
3-(chloromethyl)-4-ethoxy-N-(3-ethoxypropyl)aniline
CID 65178379

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-ethoxypropyl)aniline?
The IUPAC name of 4-ethoxy-N-(3-ethoxypropyl)aniline (CID 65176310) is 4-ethoxy-N-(3-ethoxypropyl)aniline.
What is the SMILES notation for 4-ethoxy-N-(3-ethoxypropyl)aniline?
The canonical SMILES for 4-ethoxy-N-(3-ethoxypropyl)aniline is CCOCCCNc1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxy-N-(3-ethoxypropyl)aniline?
The InChIKey is FBPLECDQFZJMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-15-11-5-10-14-12-6-8-13(9-7-12)16-4-2/h6-9,14H,3-5,10-11H2,1-2H3.
What are the key properties of 4-ethoxy-N-(3-ethoxypropyl)aniline?
4-ethoxy-N-(3-ethoxypropyl)aniline has a molecular weight of 223.32 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-ethoxypropyl)aniline is sourced from PubChem (CID 65176310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).