2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine

C15H24N2O — CID 66346640

IUPAC2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine
SMILESCCC(C)(CN)N(C)CC1Cc2ccccc2O1
InChIInChI=1S/C15H24N2O/c1-4-15(2,11-16)17(3)10-13-9-12-7-5-6-8-14(12)18-13/h5-8,13H,4,9-11,16H2,1-3H3
InChIKeyJHYONABUZBQZTC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.05
Rot. Bonds5

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

2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine (PubChem CID 66346640) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine
PubChem CID66346640
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine
SMILESCCC(C)(CN)N(C)CC1Cc2ccccc2O1
InChIInChI=1S/C15H24N2O/c1-4-15(2,11-16)17(3)10-13-9-12-7-5-6-8-14(12)18-13/h5-8,13H,4,9-11,16H2,1-3H3
InChIKeyJHYONABUZBQZTC-UHFFFAOYSA-N
XLogP2.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-ethyl-2-methylbutane-1,2-diamine
CID 66346641
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651888
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 66346636
2-(aminomethyl)-2-(2,3-dihydro-1-benzofuran-2-ylmethyl)pentan-1-ol
CID 106506404
2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine
CID 66361139
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylpentan-3-amine
CID 66365713
4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline
CID 66346823
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
CID 44658129
2-[2,2-bis(bromomethyl)pentyl]-2,3-dihydro-1-benzofuran
CID 79456341

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine (CID 66346640) is 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine is CCC(C)(CN)N(C)CC1Cc2ccccc2O1.
What is the InChIKey of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine?
The InChIKey is JHYONABUZBQZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-15(2,11-16)17(3)10-13-9-12-7-5-6-8-14(12)18-13/h5-8,13H,4,9-11,16H2,1-3H3.
What are the key properties of 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine?
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 66346640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).