2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine

C15H24N2O — CID 66361139

IUPAC2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine
SMILESCc1ccc2c(c1)CC(CN(C)C(C)(C)CN)O2
InChIInChI=1S/C15H24N2O/c1-11-5-6-14-12(7-11)8-13(18-14)9-17(4)15(2,3)10-16/h5-7,13H,8-10,16H2,1-4H3
InChIKeyPINUXGUMIOVUBZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.97
Rot. Bonds4

About 2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine

2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine (PubChem CID 66361139) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine
PubChem CID66361139
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine
SMILESCc1ccc2c(c1)CC(CN(C)C(C)(C)CN)O2
InChIInChI=1S/C15H24N2O/c1-11-5-6-14-12(7-11)8-13(18-14)9-17(4)15(2,3)10-16/h5-7,13H,8-10,16H2,1-4H3
InChIKeyPINUXGUMIOVUBZ-UHFFFAOYSA-N
XLogP1.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine with MolForge

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Related Compounds

2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine
CID 79665281
3-N-methyl-3-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butane-1,3-diamine
CID 66361714
2-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]-2-methylpropan-1-ol
CID 113476301
ethyl 2-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetate
CID 66362775
2-(2-bromoethoxy)-N-methyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 114242624
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
2-methyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-1-ol
CID 66393326
2-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfonyl]propan-2-amine
CID 81189838
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200722
[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutyl]methanamine
CID 66360102
3-[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]butanenitrile
CID 66362900

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine (CID 66361139) is 2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine is Cc1ccc2c(c1)CC(CN(C)C(C)(C)CN)O2.
What is the InChIKey of 2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine?
The InChIKey is PINUXGUMIOVUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-5-6-14-12(7-11)8-13(18-14)9-17(4)15(2,3)10-16/h5-7,13H,8-10,16H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine?
2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 66361139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).