4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline

C24H24N2O — CID 102498610

IUPAC4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2oc(-c3ccc(N(C)C)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H24N2O/c1-25(2)19-13-9-17(10-14-19)23-21-7-5-6-8-22(21)24(27-23)18-11-15-20(16-12-18)26(3)4/h5-16H,1-4H3
InChIKeyFPBRKEDDXWBRNR-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.90
Rot. Bonds4

About 4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline

4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline (PubChem CID 102498610) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline
PubChem CID102498610
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2oc(-c3ccc(N(C)C)cc3)c3ccccc23)cc1
InChIInChI=1S/C24H24N2O/c1-25(2)19-13-9-17(10-14-19)23-21-7-5-6-8-22(21)24(27-23)18-11-15-20(16-12-18)26(3)4/h5-16H,1-4H3
InChIKeyFPBRKEDDXWBRNR-UHFFFAOYSA-N
XLogP5.90
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-[4-(diethylamino)phenyl]-2-benzofuran-1-yl]-N,N-diethylaniline
CID 71339197
4-(2,5-diphenyl-1,3-oxazol-4-yl)-N,N-dimethylaniline
CID 18330802
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
1-(4-bromophenyl)-3-phenyl-2-benzofuran
CID 59538643
2-[4-(dimethylamino)phenyl]-3-hydroxybenzo[h]chromen-4-one
CID 2988186
1,3-bis[4-(trifluoromethyl)phenyl]-2-benzofuran
CID 11961545
N,N-dimethylaniline
CID 70392672
[2-[4-(dimethylamino)phenyl]-4-oxochromen-3-yl] 2-methylprop-2-enoate
CID 100959619
4-(dimethylamino)benzaldehyde;4-phenylbenzaldehyde
CID 19981020
N,N-dimethylaniline;osmium(4+)
CID 172845967
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline (CID 102498610) is 4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline is CN(C)c1ccc(-c2oc(-c3ccc(N(C)C)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline?
The InChIKey is FPBRKEDDXWBRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-25(2)19-13-9-17(10-14-19)23-21-7-5-6-8-22(21)24(27-23)18-11-15-20(16-12-18)26(3)4/h5-16H,1-4H3.
What are the key properties of 4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline?
4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline has a molecular weight of 356.47 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(dimethylamino)phenyl]-2-benzofuran-1-yl]-N,N-dimethylaniline is sourced from PubChem (CID 102498610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).