2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine

C14H20N2O — CID 115132762

IUPAC2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCc1coc2ccccc12
InChIInChI=1S/C14H20N2O/c1-14(2,10-15-3)16-8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9,15-16H,8,10H2,1-3H3
InChIKeyTWPNJTXIPGIFEP-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.52
Rot. Bonds5

About 2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine

2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine (PubChem CID 115132762) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine
PubChem CID115132762
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine
SMILESCNCC(C)(C)NCc1coc2ccccc12
InChIInChI=1S/C14H20N2O/c1-14(2,10-15-3)16-8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9,15-16H,8,10H2,1-3H3
InChIKeyTWPNJTXIPGIFEP-UHFFFAOYSA-N
XLogP2.52
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzofuran-3-ylmethylamino)-2-methylpropanenitrile
CID 115129363
N-(1-benzofuran-3-ylmethyl)-2-cyclopropylpropan-2-amine
CID 103826314
2-(1-benzofuran-3-ylmethylamino)-2-methylbutan-1-ol
CID 80701889
2-N-[2-(1-benzofuran-3-yl)ethyl]-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 115133037
methyl 2-(1-benzofuran-3-ylmethylamino)-2-methylpropanoate
CID 80700686
N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204462
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
N-(1-benzofuran-3-ylmethyl)-2,4,6-trifluoroaniline
CID 80701760
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648
N-(1-benzofuran-3-ylmethyl)cyclopent-3-en-1-amine
CID 115750478

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine (CID 115132762) is 2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine is CNCC(C)(C)NCc1coc2ccccc12.
What is the InChIKey of 2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine?
The InChIKey is TWPNJTXIPGIFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,10-15-3)16-8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9,15-16H,8,10H2,1-3H3.
What are the key properties of 2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine?
2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-benzofuran-3-ylmethyl)-1-N,2-dimethylpropane-1,2-diamine is sourced from PubChem (CID 115132762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).