4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine

C16H16N2O — CID 117041404

IUPAC4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)c2coc3ccccc23)cc1
InChIInChI=1S/C16H16N2O/c1-17-12-7-9-13(10-8-12)18(2)15-11-19-16-6-4-3-5-14(15)16/h3-11,17H,1-2H3
InChIKeyKUIALXFXFQZFHO-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.24
Rot. Bonds3

About 4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine

4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 117041404) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID117041404
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)c2coc3ccccc23)cc1
InChIInChI=1S/C16H16N2O/c1-17-12-7-9-13(10-8-12)18(2)15-11-19-16-6-4-3-5-14(15)16/h3-11,17H,1-2H3
InChIKeyKUIALXFXFQZFHO-UHFFFAOYSA-N
XLogP4.24
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine
CID 117040946
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 115149803
4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol
CID 115149469
2-[1-benzofuran-3-yl(methyl)amino]acetonitrile
CID 115130924
N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine
CID 115118778
N-[(1-aminocyclopropyl)methyl]-N-methyl-1-benzofuran-3-amine
CID 115256590
N,N-bis(1-benzofuran-3-yl)-6-methyl-1-benzofuran-3-amine
CID 155630972
6-[1-benzofuran-3-yl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143279
N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199967
3-[1-benzofuran-3-yl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164001
1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 146642264

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine (CID 117041404) is 4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine is CNc1ccc(N(C)c2coc3ccccc23)cc1.
What is the InChIKey of 4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is KUIALXFXFQZFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-17-12-7-9-13(10-8-12)18(2)15-11-19-16-6-4-3-5-14(15)16/h3-11,17H,1-2H3.
What are the key properties of 4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine?
4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 252.32 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 117041404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).