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

C15H24N2O — CID 43804484

IUPACN-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine
SMILESCCCCN(C)C(CN)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H24N2O/c1-3-4-8-17(2)14(11-16)12-5-6-15-13(10-12)7-9-18-15/h5-6,10,14H,3-4,7-9,11,16H2,1-2H3
InChIKeyLNVFNMWRKBYWLU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.35
Rot. Bonds6

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

N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine (PubChem CID 43804484) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine
PubChem CID43804484
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine
SMILESCCCCN(C)C(CN)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H24N2O/c1-3-4-8-17(2)14(11-16)12-5-6-15-13(10-12)7-9-18-15/h5-6,10,14H,3-4,7-9,11,16H2,1-2H3
InChIKeyLNVFNMWRKBYWLU-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-N-pentylethane-1,2-diamine
CID 60869742
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43804523
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43804519
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905506
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 79477512
N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 43804474
5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
CID 61086357
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
N-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 107397635
1-(2,3-dihydro-1-benzofuran-5-yl)decylhydrazine
CID 105293354

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine?
The IUPAC name of N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine (CID 43804484) is N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine is CCCCN(C)C(CN)c1ccc2c(c1)CCO2.
What is the InChIKey of N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine?
The InChIKey is LNVFNMWRKBYWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-4-8-17(2)14(11-16)12-5-6-15-13(10-12)7-9-18-15/h5-6,10,14H,3-4,7-9,11,16H2,1-2H3.
What are the key properties of N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine?
N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 43804484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).