1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine

C18H20N2O — CID 63896231

IUPAC1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1)C(CN)c1cc2ccccc2o1
InChIInChI=1S/C18H20N2O/c1-20(13-14-7-3-2-4-8-14)16(12-19)18-11-15-9-5-6-10-17(15)21-18/h2-11,16H,12-13,19H2,1H3
InChIKeySLOWSPIBFVYSRM-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.56
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine

1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine (PubChem CID 63896231) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine
PubChem CID63896231
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine
SMILESCN(Cc1ccccc1)C(CN)c1cc2ccccc2o1
InChIInChI=1S/C18H20N2O/c1-20(13-14-7-3-2-4-8-14)16(12-19)18-11-15-9-5-6-10-17(15)21-18/h2-11,16H,12-13,19H2,1H3
InChIKeySLOWSPIBFVYSRM-UHFFFAOYSA-N
XLogP3.56
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63896799
1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
CID 63898650
1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine
CID 63898460
N-benzyl-1-(3,5-difluorophenyl)-N-methylethane-1,2-diamine
CID 106528482
4-[[[(1R)-1-(1-benzofuran-2-yl)ethyl]-methylamino]methyl]benzonitrile
CID 39976766
1-(1-benzofuran-2-yl)-N-pentyl-N-propan-2-ylethane-1,2-diamine
CID 63898659
(2R)-2-(1-benzofuran-2-yl)-2-methoxyethanamine
CID 94846259
N-benzyl-1-(2-bromophenyl)-N-methylethane-1,2-diamine
CID 24694407
N-benzyl-1-(4-bromo-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 43364608
(1S)-1-(1-benzofuran-2-yl)-N-methyl-N-[(4-nitrophenyl)methyl]ethanamine
CID 51873250
N-[(3-bromophenyl)methyl]-1-(4,5-dibromofuran-2-yl)-N-methylethane-1,2-diamine
CID 62085068
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine (CID 63896231) is 1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine is CN(Cc1ccccc1)C(CN)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine?
The InChIKey is SLOWSPIBFVYSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(13-14-7-3-2-4-8-14)16(12-19)18-11-15-9-5-6-10-17(15)21-18/h2-11,16H,12-13,19H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine?
1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine has a molecular weight of 280.37 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 63896231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).