4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline

C28H32N2O — CID 71339197

IUPAC4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2oc(-c3ccc(N(CC)CC)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H32N2O/c1-5-29(6-2)23-17-13-21(14-18-23)27-25-11-9-10-12-26(25)28(31-27)22-15-19-24(20-16-22)30(7-3)8-4/h9-20H,5-8H2,1-4H3
InChIKeyJNBIUEGLGPRFTE-UHFFFAOYSA-N
MW412.58 g/mol
LogP7.46
Rot. Bonds8

About 4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline

4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline (PubChem CID 71339197) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is 4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline
PubChem CID71339197
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2oc(-c3ccc(N(CC)CC)cc3)c3ccccc23)cc1
InChIInChI=1S/C28H32N2O/c1-5-29(6-2)23-17-13-21(14-18-23)27-25-11-9-10-12-26(25)28(31-27)22-15-19-24(20-16-22)30(7-3)8-4/h9-20H,5-8H2,1-4H3
InChIKeyJNBIUEGLGPRFTE-UHFFFAOYSA-N
XLogP7.46
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline
CID 102498610
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethyl-4-(4-naphthalen-1-yl-5-phenyl-1,3-oxazol-2-yl)aniline
CID 139802778
N,N-diethylaniline
CID 7061
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-[2-[10-[2-[4-(diethylamino)phenyl]ethynyl]anthracen-9-yl]ethynyl]-N,N-diethylaniline
CID 15074025
4-(1,2-benzothiazol-3-yl)-N,N-diethylaniline
CID 12555114
3-[4-(diethylamino)phenyl]-4-phenylcyclobut-3-ene-1,2-dione
CID 134977150
N,N-diethylaniline;hydrazine
CID 161037544
4-benzo[f]quinolin-3-yl-N,N-diethylaniline
CID 5063761
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
CID 57112514
2-[4-(diethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
CID 130369805

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline?
The IUPAC name of 4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline (CID 71339197) is 4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline.
What is the SMILES notation for 4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline?
The canonical SMILES for 4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline is CCN(CC)c1ccc(-c2oc(-c3ccc(N(CC)CC)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline?
The InChIKey is JNBIUEGLGPRFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-5-29(6-2)23-17-13-21(14-18-23)27-25-11-9-10-12-26(25)28(31-27)22-15-19-24(20-16-22)30(7-3)8-4/h9-20H,5-8H2,1-4H3.
What are the key properties of 4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline?
4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline has a molecular weight of 412.58 g/mol, XLogP of 7.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline is sourced from PubChem (CID 71339197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).