N-(3,3-diethoxypropyl)-2-ethylaniline

C15H25NO2 — CID 81094600

IUPACN-(3,3-diethoxypropyl)-2-ethylaniline
SMILESCCOC(CCNc1ccccc1CC)OCC
InChIInChI=1S/C15H25NO2/c1-4-13-9-7-8-10-14(13)16-12-11-15(17-5-2)18-6-3/h7-10,15-16H,4-6,11-12H2,1-3H3
InChIKeyOPYXVLKORGJBEV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.45
Rot. Bonds9

About N-(3,3-diethoxypropyl)-2-ethylaniline

N-(3,3-diethoxypropyl)-2-ethylaniline (PubChem CID 81094600) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-2-ethylaniline.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-2-ethylaniline
PubChem CID81094600
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-(3,3-diethoxypropyl)-2-ethylaniline
SMILESCCOC(CCNc1ccccc1CC)OCC
InChIInChI=1S/C15H25NO2/c1-4-13-9-7-8-10-14(13)16-12-11-15(17-5-2)18-6-3/h7-10,15-16H,4-6,11-12H2,1-3H3
InChIKeyOPYXVLKORGJBEV-UHFFFAOYSA-N
XLogP3.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-diethoxypropyl)naphthalen-1-amine
CID 81094321
N-(3,3-diethoxypropyl)-2-propan-2-yloxypyridin-3-amine
CID 81093253
N-(2,2-diethoxyethyl)-2-[(dimethylamino)methyl]aniline
CID 122228815
2,5-dichloro-N-(3,3-diethoxypropyl)aniline
CID 81093702
2-ethyl-N-pent-3-ynylaniline
CID 104744087
N-(3,3-diethoxypropyl)-4-fluoro-2-methylaniline
CID 81095045
4-bromo-N-(3,3-diethoxypropyl)-2-methylaniline
CID 81093406
3-(2-ethylanilino)-N,N-dimethylpropanamide
CID 60961204
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
2-chloro-N-(3,3-diethoxypropyl)-4-fluoroaniline
CID 81094478
4-bromo-N-(3,3-diethoxypropyl)-2-fluoroaniline
CID 81093558
N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 102977014

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-2-ethylaniline?
The IUPAC name of N-(3,3-diethoxypropyl)-2-ethylaniline (CID 81094600) is N-(3,3-diethoxypropyl)-2-ethylaniline.
What is the SMILES notation for N-(3,3-diethoxypropyl)-2-ethylaniline?
The canonical SMILES for N-(3,3-diethoxypropyl)-2-ethylaniline is CCOC(CCNc1ccccc1CC)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-2-ethylaniline?
The InChIKey is OPYXVLKORGJBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-13-9-7-8-10-14(13)16-12-11-15(17-5-2)18-6-3/h7-10,15-16H,4-6,11-12H2,1-3H3.
What are the key properties of N-(3,3-diethoxypropyl)-2-ethylaniline?
N-(3,3-diethoxypropyl)-2-ethylaniline has a molecular weight of 251.37 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-2-ethylaniline is sourced from PubChem (CID 81094600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).