1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine

C16H26N2O — CID 43804523

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)C(CN)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H26N2O/c1-4-5-12(2)18(3)15(11-17)13-6-7-16-14(10-13)8-9-19-16/h6-7,10,12,15H,4-5,8-9,11,17H2,1-3H3
InChIKeyJXHSYWJYIDUHEC-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.74
Rot. Bonds6

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine (PubChem CID 43804523) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
PubChem CID43804523
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
SMILESCCCC(C)N(C)C(CN)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H26N2O/c1-4-5-12(2)18(3)15(11-17)13-6-7-16-14(10-13)8-9-19-16/h6-7,10,12,15H,4-5,8-9,11,17H2,1-3H3
InChIKeyJXHSYWJYIDUHEC-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine
CID 43804484
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)-2-methylpentan-1-amine
CID 43210155
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 79477512
1-(2,3-dihydro-1-benzofuran-5-yl)-2-propylpentan-1-amine
CID 82984024
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(3,4-difluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571841
N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 43804474
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
1-(2,3-dihydro-1-benzofuran-5-yl)pentan-1-amine;hydrochloride
CID 86262922
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571924

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine (CID 43804523) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine is CCCC(C)N(C)C(CN)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
The InChIKey is JXHSYWJYIDUHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-5-12(2)18(3)15(11-17)13-6-7-16-14(10-13)8-9-19-16/h6-7,10,12,15H,4-5,8-9,11,17H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.74, 6 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-methyl-N-pentan-2-ylethane-1,2-diamine is sourced from PubChem (CID 43804523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).