1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine

C17H28N2O — CID 79477512

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
SMILESCCC(C)CN(CC)C(CN)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H28N2O/c1-4-13(3)12-19(5-2)16(11-18)14-6-7-17-15(10-14)8-9-20-17/h6-7,10,13,16H,4-5,8-9,11-12,18H2,1-3H3
InChIKeyCYLJFJSZIGCAFW-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.99
Rot. Bonds7

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine (PubChem CID 79477512) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
PubChem CID79477512
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
SMILESCCC(C)CN(CC)C(CN)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H28N2O/c1-4-13(3)12-19(5-2)16(11-18)14-6-7-17-15(10-14)8-9-20-17/h6-7,10,13,16H,4-5,8-9,11-12,18H2,1-3H3
InChIKeyCYLJFJSZIGCAFW-UHFFFAOYSA-N
XLogP2.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-N,N,3-trimethylbutane-1,4-diamine
CID 116905506
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43804523
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine
CID 43804484
N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 43804474
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
CID 171202505
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpentan-3-amine
CID 54954752
N-ethyl-N-(2-methylbutyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 79481720

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine (CID 79477512) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine is CCC(C)CN(CC)C(CN)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine?
The InChIKey is CYLJFJSZIGCAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-13(3)12-19(5-2)16(11-18)14-6-7-17-15(10-14)8-9-20-17/h6-7,10,13,16H,4-5,8-9,11-12,18H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.99, 7 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)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 79477512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).