1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine

C17H24N2O2 — CID 63896799

IUPAC1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCOCC1)C(CN)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O2/c1-19(12-13-6-8-20-9-7-13)15(11-18)17-10-14-4-2-3-5-16(14)21-17/h2-5,10,13,15H,6-9,11-12,18H2,1H3
InChIKeyJYNSNXYNBPVTLY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.79
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine

1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine (PubChem CID 63896799) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
PubChem CID63896799
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
SMILESCN(CC1CCOCC1)C(CN)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O2/c1-19(12-13-6-8-20-9-7-13)15(11-18)17-10-14-4-2-3-5-16(14)21-17/h2-5,10,13,15H,6-9,11-12,18H2,1H3
InChIKeyJYNSNXYNBPVTLY-UHFFFAOYSA-N
XLogP2.79
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1-benzofuran-2-yl)-2-[methyl(oxan-4-ylmethyl)amino]acetic acid
CID 97211083
1-(1-benzofuran-2-yl)-N-benzyl-N-methylethane-1,2-diamine
CID 63896231
1-(2,3-dimethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63725960
N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63726962
1-(1-benzofuran-2-yl)-N'-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 54884595
1-(4-ethylphenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63726473
N-methyl-1-(5-methylthiophen-2-yl)-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 63725566
1-(1-benzofuran-2-yl)-N-methyl-2-(oxan-4-yl)ethanamine
CID 63092027
1-(3-chloro-2-fluorophenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 114487930
1-(3-bromo-4-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 83231113
1-(1-benzofuran-2-yl)-N-ethyl-N-propylethane-1,2-diamine
CID 63898460
1-(1-benzofuran-2-yl)-N-ethyl-N-phenylethane-1,2-diamine
CID 63898650

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine (CID 63896799) is 1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine is CN(CC1CCOCC1)C(CN)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine?
The InChIKey is JYNSNXYNBPVTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19(12-13-6-8-20-9-7-13)15(11-18)17-10-14-4-2-3-5-16(14)21-17/h2-5,10,13,15H,6-9,11-12,18H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine?
1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine has a molecular weight of 288.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 63896799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).