N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine

C15H24N2O — CID 115252439

IUPACN'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CN(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H24N2O/c1-11(2)13(9-16)10-17(3)14-4-5-15-12(8-14)6-7-18-15/h4-5,8,11,13H,6-7,9-10,16H2,1-3H3
InChIKeyKWWXDOOFMUMJFS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.29
Rot. Bonds5

About N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine

N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252439) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252439
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CN(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H24N2O/c1-11(2)13(9-16)10-17(3)14-4-5-15-12(8-14)6-7-18-15/h4-5,8,11,13H,6-7,9-10,16H2,1-3H3
InChIKeyKWWXDOOFMUMJFS-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]propane-1,2-diol
CID 115122056
N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine
CID 115260679
4-amino-1-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]butan-2-ol
CID 117039127
2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]acetonitrile
CID 115130911
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138234
N'-(4-methoxy-3-methylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252382
N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine
CID 115201852
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905506
3-amino-N-(3,4-dihydro-2H-chromen-6-yl)-N,2-dimethylpropanamide
CID 115153584
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
4-(2-aminoethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-1-one
CID 116577947

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine (CID 115252439) is N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CN(C)c1ccc2c(c1)CCO2.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is KWWXDOOFMUMJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)13(9-16)10-17(3)14-4-5-15-12(8-14)6-7-18-15/h4-5,8,11,13H,6-7,9-10,16H2,1-3H3.
What are the key properties of N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1-benzofuran-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).