1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C14H22N2O — CID 113425110

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O/c1-14(2,16(3)4)13(15)11-5-6-12-10(9-11)7-8-17-12/h5-6,9,13H,7-8,15H2,1-4H3
InChIKeyDKKHHTJYHYUCMT-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.96
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 113425110) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID113425110
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)C(N)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O/c1-14(2,16(3)4)13(15)11-5-6-12-10(9-11)7-8-17-12/h5-6,9,13H,7-8,15H2,1-4H3
InChIKeyDKKHHTJYHYUCMT-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79053086
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
CID 43198478
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240485
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-2-methylpropan-1-amine
CID 104542557
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660691
methyl (3S)-3-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropanoate;hydrochloride
CID 171247194
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
CID 66039061
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 104542676
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-amine;hydrochloride
CID 86263152
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
2,3-dihydro-1-benzofuran-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43198470

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 113425110) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)C(N)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is DKKHHTJYHYUCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-14(2,16(3)4)13(15)11-5-6-12-10(9-11)7-8-17-12/h5-6,9,13H,7-8,15H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 113425110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).