N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine

C19H22N2O — CID 54196974

IUPACN-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccccc1-c1cc2ccccc2o1
InChIInChI=1S/C19H22N2O/c1-21(2)12-11-20-14-16-8-3-5-9-17(16)19-13-15-7-4-6-10-18(15)22-19/h3-10,13,20H,11-12,14H2,1-2H3
InChIKeyPMMWRTGVFGFVCO-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.75
Rot. Bonds6

About N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 54196974) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID54196974
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccccc1-c1cc2ccccc2o1
InChIInChI=1S/C19H22N2O/c1-21(2)12-11-20-14-16-8-3-5-9-17(16)19-13-15-7-4-6-10-18(15)22-19/h3-10,13,20H,11-12,14H2,1-2H3
InChIKeyPMMWRTGVFGFVCO-UHFFFAOYSA-N
XLogP3.75
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

2-Methylbenzofuran, 26
CID 25138263
2-Isopropylbenzofuran, 27
CID 25138264
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CID 68993987
4-Methyl-1,2,3,4-tetrahydro[1]benzofuro[3,2-c]pyridine
CID 12499516
N-[[(1R)-2-[2-(4-phenylbutyl)-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide
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N-((Benzofuran-2-yl)methyl)-N''-benzylpiperazine
CID 5009938
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CID 9858986
N-{3-[2-(4-Phenyl-butyl)-benzofuran-4-yl]-propyl}-isobutyramide
CID 10022490
N-{3-[2-(4-Phenyl-butyl)-benzofuran-4-yl]-propyl}-propionamide
CID 10384120
N-[2-(2-Benzyl-5-ethyl-benzofuran-3-yl)-ethyl]-acetamide
CID 10969292
N-[2-(2-Benzyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11098363

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 54196974) is N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccccc1-c1cc2ccccc2o1.
What is the InChIKey of N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is PMMWRTGVFGFVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21(2)12-11-20-14-16-8-3-5-9-17(16)19-13-15-7-4-6-10-18(15)22-19/h3-10,13,20H,11-12,14H2,1-2H3.
What are the key properties of N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 294.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-benzofuran-2-yl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 54196974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).