1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine

C15H20N2O — CID 54884595

IUPAC1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CC1CC1)CC(N)c1cc2ccccc2o1
InChIInChI=1S/C15H20N2O/c1-17(9-11-6-7-11)10-13(16)15-8-12-4-2-3-5-14(12)18-15/h2-5,8,11,13H,6-7,9-10,16H2,1H3
InChIKeyQACBLADBVZKUJV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.77
Rot. Bonds5

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

1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine (PubChem CID 54884595) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
PubChem CID54884595
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
SMILESCN(CC1CC1)CC(N)c1cc2ccccc2o1
InChIInChI=1S/C15H20N2O/c1-17(9-11-6-7-11)10-13(16)15-8-12-4-2-3-5-14(12)18-15/h2-5,8,11,13H,6-7,9-10,16H2,1H3
InChIKeyQACBLADBVZKUJV-UHFFFAOYSA-N
XLogP2.77
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol
CID 63631810
1-(1-benzofuran-2-yl)-N'-(cyclobutylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 62862357
1-(1-benzofuran-2-yl)-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 43541045
1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63896799
2-[1-(1-benzofuran-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055146
2-amino-2-(1-benzofuran-2-yl)ethanol
CID 54265707
(2R)-2-(1-benzofuran-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]acetic acid
CID 97211083
N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54884594
1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
1-benzofuran-2-yl-(4-methylcyclohexyl)methanamine
CID 64776063
N-[1-(1-benzofuran-2-yl)ethyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651191
1-(1-benzofuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 63090070

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine (CID 54884595) is 1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine is CN(CC1CC1)CC(N)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine?
The InChIKey is QACBLADBVZKUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17(9-11-6-7-11)10-13(16)15-8-12-4-2-3-5-14(12)18-15/h2-5,8,11,13H,6-7,9-10,16H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine?
1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine has a molecular weight of 244.34 g/mol, XLogP of 2.77, 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'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 54884595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).