N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine

C16H15ClN2O — CID 82760047

IUPACN-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine
SMILESCc1ccc(NCc2c(Cl)oc3ccccc23)c(C)n1
InChIInChI=1S/C16H15ClN2O/c1-10-7-8-14(11(2)19-10)18-9-13-12-5-3-4-6-15(12)20-16(13)17/h3-8,18H,9H2,1-2H3
InChIKeyASUFWNUEPINUHU-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.71
Rot. Bonds3

About N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine

N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine (PubChem CID 82760047) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine
PubChem CID82760047
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC NameN-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine
SMILESCc1ccc(NCc2c(Cl)oc3ccccc23)c(C)n1
InChIInChI=1S/C16H15ClN2O/c1-10-7-8-14(11(2)19-10)18-9-13-12-5-3-4-6-15(12)20-16(13)17/h3-8,18H,9H2,1-2H3
InChIKeyASUFWNUEPINUHU-UHFFFAOYSA-N
XLogP4.71
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-1-benzofuran-3-yl)methyl]-4-methylaniline
CID 82758767
3-chloro-N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-fluoroaniline
CID 82759642
1-(2-chloro-1-benzofuran-3-yl)-N-methylmethanamine
CID 82704880
N-[(2-chloro-1-benzofuran-3-yl)methyl]-4-fluoro-2-iodoaniline
CID 82759813
2-[(2-chloro-1-benzofuran-3-yl)methyl]-1,1-dimethylhydrazine
CID 83004186
4-[(2-chloro-1-benzofuran-3-yl)methylamino]phenol
CID 82760456
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115777581
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylsulfanylethanamine
CID 82705605
2-[(2-chloro-1-benzofuran-3-yl)methylamino]-2-methylpropane-1,3-diol
CID 82759972
N-[(2-chloro-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 82760038
3-[(2-chloro-1-benzofuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 103866300
4-chloro-2-iodo-N-[(2-methyl-1-benzofuran-3-yl)methyl]aniline
CID 107632422

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine?
The IUPAC name of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine (CID 82760047) is N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine.
What is the SMILES notation for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine?
The canonical SMILES for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine is Cc1ccc(NCc2c(Cl)oc3ccccc23)c(C)n1.
What is the InChIKey of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine?
The InChIKey is ASUFWNUEPINUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c1-10-7-8-14(11(2)19-10)18-9-13-12-5-3-4-6-15(12)20-16(13)17/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine?
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine has a molecular weight of 286.76 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1-benzofuran-3-yl)methyl]-2,6-dimethylpyridin-3-amine is sourced from PubChem (CID 82760047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).