2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine

C15H17N3O — CID 115147640

IUPAC2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine
SMILESCc1nc(N(C)c2ccc3c(c2)CCO3)ccc1N
InChIInChI=1S/C15H17N3O/c1-10-13(16)4-6-15(17-10)18(2)12-3-5-14-11(9-12)7-8-19-14/h3-6,9H,7-8,16H2,1-2H3
InChIKeyWZHBBFLZIYZFBN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.68
Rot. Bonds2

About 2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine

2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine (PubChem CID 115147640) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine
PubChem CID115147640
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine
SMILESCc1nc(N(C)c2ccc3c(c2)CCO3)ccc1N
InChIInChI=1S/C15H17N3O/c1-10-13(16)4-6-15(17-10)18(2)12-3-5-14-11(9-12)7-8-19-14/h3-6,9H,7-8,16H2,1-2H3
InChIKeyWZHBBFLZIYZFBN-UHFFFAOYSA-N
XLogP2.68
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine
CID 115260679
1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylbenzene-1,2-diamine
CID 115125003
2-N-(3,4-dihydro-2H-chromen-6-yl)-2-N,3-dimethylbenzene-1,2-diamine
CID 115126021
2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]acetonitrile
CID 115130911
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
CID 115194555
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methylaniline
CID 82766457
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
CID 115160758
methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate
CID 115128392

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine (CID 115147640) is 2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine is Cc1nc(N(C)c2ccc3c(c2)CCO3)ccc1N.
What is the InChIKey of 2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine?
The InChIKey is WZHBBFLZIYZFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-13(16)4-6-15(17-10)18(2)12-3-5-14-11(9-12)7-8-19-14/h3-6,9H,7-8,16H2,1-2H3.
What are the key properties of 2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine?
2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine has a molecular weight of 255.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,3-dihydro-1-benzofuran-5-yl)-2-N,6-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).