3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine

C15H14N2O — CID 117040946

IUPAC3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine
SMILESCN(c1cccc(N)c1)c1coc2ccccc12
InChIInChI=1S/C15H14N2O/c1-17(12-6-4-5-11(16)9-12)14-10-18-15-8-3-2-7-13(14)15/h2-10H,16H2,1H3
InChIKeyRRKKOIPDKRLFSZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.78
Rot. Bonds2

About 3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine

3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine (PubChem CID 117040946) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine
PubChem CID117040946
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine
SMILESCN(c1cccc(N)c1)c1coc2ccccc12
InChIInChI=1S/C15H14N2O/c1-17(12-6-4-5-11(16)9-12)14-10-18-15-8-3-2-7-13(14)15/h2-10H,16H2,1H3
InChIKeyRRKKOIPDKRLFSZ-UHFFFAOYSA-N
XLogP3.78
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(1-benzofuran-3-yl)-1-N,4-N-dimethylbenzene-1,4-diamine
CID 117041404
N'-(1-benzofuran-3-yl)-N'-methylmethanediamine
CID 115225641
4-N-(1-benzofuran-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 115149803
3-N-methyl-3-N-(6-methyl-1,3-benzodioxol-5-yl)benzene-1,3-diamine
CID 117040945
1-N,3-N-bis(1-benzofuran-3-yl)-5-tert-butyl-1-N,3-N-diphenylbenzene-1,3-diamine
CID 146642264
3-[amino(1-benzofuran-3-yl)methyl]aniline
CID 116936632
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
4-[1-benzofuran-3-yl(methyl)amino]cyclohexan-1-ol
CID 115149469
3-[1-benzofuran-3-yl(difluoro)methyl]aniline
CID 116840032
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine
CID 103187647
2-[1-benzofuran-3-yl(methyl)amino]acetonitrile
CID 115130924

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine (CID 117040946) is 3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine is CN(c1cccc(N)c1)c1coc2ccccc12.
What is the InChIKey of 3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine?
The InChIKey is RRKKOIPDKRLFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17(12-6-4-5-11(16)9-12)14-10-18-15-8-3-2-7-13(14)15/h2-10H,16H2,1H3.
What are the key properties of 3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine?
3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine has a molecular weight of 238.29 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-benzofuran-3-yl)-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 117040946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).