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

C16H19N3O — CID 115147996

IUPAC2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C16H19N3O/c1-11-7-14(17)9-18-16(11)19(2)10-12-3-4-15-13(8-12)5-6-20-15/h3-4,7-9H,5-6,10,17H2,1-2H3
InChIKeyVAISPNLZZRXMHP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.54
Rot. Bonds3

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

2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine (PubChem CID 115147996) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine
PubChem CID115147996
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine
SMILESCc1cc(N)cnc1N(C)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C16H19N3O/c1-11-7-14(17)9-18-16(11)19(2)10-12-3-4-15-13(8-12)5-6-20-15/h3-4,7-9H,5-6,10,17H2,1-2H3
InChIKeyVAISPNLZZRXMHP-UHFFFAOYSA-N
XLogP2.54
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(4-fluoro-3-methylphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147979
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 62475698
5-chloro-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpyrimidin-2-amine
CID 171328577
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylquinazolin-4-amine
CID 171329075
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
N-[(4-aminophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromen-6-amine
CID 115212433
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanenitrile
CID 115231859
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138234

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine?
The IUPAC name of 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine (CID 115147996) is 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine is Cc1cc(N)cnc1N(C)Cc1ccc2c(c1)CCO2.
What is the InChIKey of 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine?
The InChIKey is VAISPNLZZRXMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-7-14(17)9-18-16(11)19(2)10-12-3-4-15-13(8-12)5-6-20-15/h3-4,7-9H,5-6,10,17H2,1-2H3.
What are the key properties of 2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine?
2-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine has a molecular weight of 269.35 g/mol, XLogP of 2.54, 3 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-ylmethyl)-2-N,3-dimethylpyridine-2,5-diamine is sourced from PubChem (CID 115147996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).