1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

C17H21N3O — CID 43804519

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccccn1)C(CN)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H21N3O/c1-20(12-15-4-2-3-8-19-15)16(11-18)13-5-6-17-14(10-13)7-9-21-17/h2-6,8,10,16H,7,9,11-12,18H2,1H3
InChIKeyYEQSNWFUNZGKTG-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.15
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 43804519) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID43804519
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1ccccn1)C(CN)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H21N3O/c1-20(12-15-4-2-3-8-19-15)16(11-18)13-5-6-17-14(10-13)7-9-21-17/h2-6,8,10,16H,7,9,11-12,18H2,1H3
InChIKeyYEQSNWFUNZGKTG-UHFFFAOYSA-N
XLogP2.15
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine
CID 43804484
1-(4-chlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564825
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 60863461
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
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564795
1-(2,6-dichlorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 43564737
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 79477512
1-(4-chloro-2-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 114842894
N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 43804474
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 129007714
N-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 107397635

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 43804519) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is CN(Cc1ccccn1)C(CN)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is YEQSNWFUNZGKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(12-15-4-2-3-8-19-15)16(11-18)13-5-6-17-14(10-13)7-9-21-17/h2-6,8,10,16H,7,9,11-12,18H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 283.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43804519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).