1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine

C18H20N2O — CID 63898650

IUPAC1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)c1cc2ccccc2o1
InChIInChI=1S/C18H20N2O/c1-2-20(15-9-4-3-5-10-15)16(13-19)18-12-14-8-6-7-11-17(14)21-18/h3-12,16H,2,13,19H2,1H3
InChIKeyICHDZAVWPPLHSU-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.96
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine

1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine (PubChem CID 63898650) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
PubChem CID63898650
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
SMILESCCN(c1ccccc1)C(CN)c1cc2ccccc2o1
InChIInChI=1S/C18H20N2O/c1-2-20(15-9-4-3-5-10-15)16(13-19)18-12-14-8-6-7-11-17(14)21-18/h3-12,16H,2,13,19H2,1H3
InChIKeyICHDZAVWPPLHSU-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
CID 62085737
1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine
CID 63898460
1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine
CID 63896231
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
1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63896799
2-N-ethyl-3,3,3-trifluoro-2-N-phenylpropane-1,2-diamine
CID 43752644
2-butan-2-yl-1-benzofuran
CID 12065919
2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran
CID 134949472
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
1-(1-benzofuran-2-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 65383510
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine (CID 63898650) is 1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine is CCN(c1ccccc1)C(CN)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine?
The InChIKey is ICHDZAVWPPLHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-20(15-9-4-3-5-10-15)16(13-19)18-12-14-8-6-7-11-17(14)21-18/h3-12,16H,2,13,19H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine?
1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine has a molecular weight of 280.37 g/mol, XLogP of 3.96, 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-ethyl-N-phenylethane-1,2-diamine is sourced from PubChem (CID 63898650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).