4-ethoxy-N,N-bis(2-ethylhexyl)aniline

C24H43NO — CID 59373143

IUPAC4-ethoxy-N,N-bis(2-ethylhexyl)aniline
SMILESCCCCC(CC)CN(CC(CC)CCCC)c1ccc(OCC)cc1
InChIInChI=1S/C24H43NO/c1-6-11-13-21(8-3)19-25(20-22(9-4)14-12-7-2)23-15-17-24(18-16-23)26-10-5/h15-18,21-22H,6-14,19-20H2,1-5H3
InChIKeyXJOAOMHUUSJHRK-UHFFFAOYSA-N
MW361.61 g/mol
LogP7.32
Rot. Bonds15

About 4-ethoxy-N,N-bis(2-ethylhexyl)aniline

4-ethoxy-N,N-bis(2-ethylhexyl)aniline (PubChem CID 59373143) has the molecular formula C24H43NO and a molecular weight of 361.61 g/mol. Its IUPAC name is 4-ethoxy-N,N-bis(2-ethylhexyl)aniline.

Molecular Properties

Compound Name4-ethoxy-N,N-bis(2-ethylhexyl)aniline
PubChem CID59373143
Molecular FormulaC24H43NO
Molecular Weight361.61 g/mol
Exact Mass361.33
IUPAC Name4-ethoxy-N,N-bis(2-ethylhexyl)aniline
SMILESCCCCC(CC)CN(CC(CC)CCCC)c1ccc(OCC)cc1
InChIInChI=1S/C24H43NO/c1-6-11-13-21(8-3)19-25(20-22(9-4)14-12-7-2)23-15-17-24(18-16-23)26-10-5/h15-18,21-22H,6-14,19-20H2,1-5H3
InChIKeyXJOAOMHUUSJHRK-UHFFFAOYSA-N
XLogP7.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.61
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-(2-ethylhexyl)benzene
CID 91334560
[4-[3-[4-[4-[bis(2-ethylhexyl)amino]benzoyl]oxyphenyl]-3-oxopropanoyl]phenyl] 4-[bis(2-ethylhexyl)amino]benzoate
CID 139908339
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-[ethyl(2-ethylhexyl)amino]benzaldehyde
CID 87492667
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
4-ethoxy-N,N-bis(2-methylpropyl)aniline;4-methoxy-N,N-bis(2-methylpropyl)aniline
CID 161278996
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
(4-benzoyl-3-hydroxyphenyl) 4-[bis(2-ethylhexyl)amino]benzoate
CID 54198861
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dipentylaniline
CID 67935322
1,2-bis[4-[4-[4-(2-ethylhexoxy)-N-[4-(2-ethylhexoxy)phenyl]anilino]phenyl]phenyl]ethane-1,2-dione
CID 102199896
3-N-ethyl-3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 63532934
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N-bis(2-ethylhexyl)aniline?
The IUPAC name of 4-ethoxy-N,N-bis(2-ethylhexyl)aniline (CID 59373143) is 4-ethoxy-N,N-bis(2-ethylhexyl)aniline.
What is the SMILES notation for 4-ethoxy-N,N-bis(2-ethylhexyl)aniline?
The canonical SMILES for 4-ethoxy-N,N-bis(2-ethylhexyl)aniline is CCCCC(CC)CN(CC(CC)CCCC)c1ccc(OCC)cc1.
What is the InChIKey of 4-ethoxy-N,N-bis(2-ethylhexyl)aniline?
The InChIKey is XJOAOMHUUSJHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO/c1-6-11-13-21(8-3)19-25(20-22(9-4)14-12-7-2)23-15-17-24(18-16-23)26-10-5/h15-18,21-22H,6-14,19-20H2,1-5H3.
What are the key properties of 4-ethoxy-N,N-bis(2-ethylhexyl)aniline?
4-ethoxy-N,N-bis(2-ethylhexyl)aniline has a molecular weight of 361.61 g/mol, XLogP of 7.32, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-bis(2-ethylhexyl)aniline is sourced from PubChem (CID 59373143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).