3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline

C24H27NO3 — CID 70603517

IUPAC3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline
SMILESCCOc1cccc(N(c2cccc(OCC)c2)c2cccc(OCC)c2)c1
InChIInChI=1S/C24H27NO3/c1-4-26-22-13-7-10-19(16-22)25(20-11-8-14-23(17-20)27-5-2)21-12-9-15-24(18-21)28-6-3/h7-18H,4-6H2,1-3H3
InChIKeyJUIHJGIUWQEPRH-UHFFFAOYSA-N
MW377.48 g/mol
LogP6.35
Rot. Bonds9

About 3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline

3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline (PubChem CID 70603517) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline.

Molecular Properties

Compound Name3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline
PubChem CID70603517
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline
SMILESCCOc1cccc(N(c2cccc(OCC)c2)c2cccc(OCC)c2)c1
InChIInChI=1S/C24H27NO3/c1-4-26-22-13-7-10-19(16-22)25(20-11-8-14-23(17-20)27-5-2)21-12-9-15-24(18-21)28-6-3/h7-18H,4-6H2,1-3H3
InChIKeyJUIHJGIUWQEPRH-UHFFFAOYSA-N
XLogP6.35
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-N,N-bis(3-ethoxyphenyl)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

1-N,3-N-bis[4-(N-(3,4-dimethylphenyl)anilino)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,4-N-bis[4-(N-(3-ethoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,3-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-bis[4-(N-(4-methylphenyl)anilino)phenyl]benzene-1,3-diamine;1-N,3-N-bis(4-methylphenyl)-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine;3-N-(3-methylphenyl)-1-N-phenyl-1-N,3-N-bis[4-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 159029293
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
1-N,1-N,4-N,4-N-tetrakis(3-methoxyphenyl)benzene-1,4-diamine
CID 22900292
N-benzyl-N-(3-ethoxyphenyl)hydroxylamine
CID 134890308
1-(3-ethoxyphenyl)-1-ethylurea
CID 3032085
N-(3-ethoxyphenyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 144987034
1-(3-ethoxyphenyl)-1-propylurea
CID 3032093
2-(3-ethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 30256331
3-[3-(N-phenylanilino)phenoxy]propane-1,2-diol
CID 59739427
N-phenyl-N-(4-phenylphenyl)-3-prop-2-enoxyaniline
CID 102280178
1-bromo-3-ethoxybenzene;ethane
CID 143900364
3-(3-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865322

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline?
The IUPAC name of 3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline (CID 70603517) is 3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline.
What is the SMILES notation for 3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline?
The canonical SMILES for 3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline is CCOc1cccc(N(c2cccc(OCC)c2)c2cccc(OCC)c2)c1.
What is the InChIKey of 3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline?
The InChIKey is JUIHJGIUWQEPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-4-26-22-13-7-10-19(16-22)25(20-11-8-14-23(17-20)27-5-2)21-12-9-15-24(18-21)28-6-3/h7-18H,4-6H2,1-3H3.
What are the key properties of 3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline?
3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline has a molecular weight of 377.48 g/mol, XLogP of 6.35, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline is sourced from PubChem (CID 70603517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).