4-(3-ethoxyphenyl)-N,N-diethylaniline

C18H23NO — CID 11231008

IUPAC4-(3-ethoxyphenyl)-N,N-diethylaniline
SMILESCCOc1cccc(-c2ccc(N(CC)CC)cc2)c1
InChIInChI=1S/C18H23NO/c1-4-19(5-2)17-12-10-15(11-13-17)16-8-7-9-18(14-16)20-6-3/h7-14H,4-6H2,1-3H3
InChIKeyMWQZOOVXFDMAPX-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.60
Rot. Bonds6

About 4-(3-ethoxyphenyl)-N,N-diethylaniline

4-(3-ethoxyphenyl)-N,N-diethylaniline (PubChem CID 11231008) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(3-ethoxyphenyl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(3-ethoxyphenyl)-N,N-diethylaniline
PubChem CID11231008
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name4-(3-ethoxyphenyl)-N,N-diethylaniline
SMILESCCOc1cccc(-c2ccc(N(CC)CC)cc2)c1
InChIInChI=1S/C18H23NO/c1-4-19(5-2)17-12-10-15(11-13-17)16-8-7-9-18(14-16)20-6-3/h7-14H,4-6H2,1-3H3
InChIKeyMWQZOOVXFDMAPX-UHFFFAOYSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloropropoxy)-3-(4-ethoxyphenyl)benzene
CID 39396726
4-(2,6-diethoxy-4-pyridinyl)-N,N-diethylaniline
CID 18004124
3-ethoxy-N,N-bis(3-ethoxyphenyl)aniline
CID 70603517
4-[3-(2-fluoroethoxy)phenyl]-N,N-diphenylaniline
CID 89119599
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-(3-methoxyphenyl)-N,N-diphenylaniline
CID 175141155
3-bromo-5-(3-ethoxyphenyl)aniline
CID 170984455
CID 88533014
CID 88533014
2-(3-ethoxyphenyl)aniline
CID 57482711
6-(3-ethoxyphenyl)-1H-indazol-3-amine
CID 11622972
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
2-(3-ethoxyphenyl)-1H-pyridine-4-thione
CID 106519869

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenyl)-N,N-diethylaniline?
The IUPAC name of 4-(3-ethoxyphenyl)-N,N-diethylaniline (CID 11231008) is 4-(3-ethoxyphenyl)-N,N-diethylaniline.
What is the SMILES notation for 4-(3-ethoxyphenyl)-N,N-diethylaniline?
The canonical SMILES for 4-(3-ethoxyphenyl)-N,N-diethylaniline is CCOc1cccc(-c2ccc(N(CC)CC)cc2)c1.
What is the InChIKey of 4-(3-ethoxyphenyl)-N,N-diethylaniline?
The InChIKey is MWQZOOVXFDMAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-19(5-2)17-12-10-15(11-13-17)16-8-7-9-18(14-16)20-6-3/h7-14H,4-6H2,1-3H3.
What are the key properties of 4-(3-ethoxyphenyl)-N,N-diethylaniline?
4-(3-ethoxyphenyl)-N,N-diethylaniline has a molecular weight of 269.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenyl)-N,N-diethylaniline is sourced from PubChem (CID 11231008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).