1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine

C16H14Cl2N2O — CID 114729955

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cc(C)ccc2o1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-9-3-4-13-10(5-9)6-14(21-13)16(19-2)15-12(18)7-11(17)8-20-15/h3-8,16,19H,1-2H3
InChIKeyAZJMPFCANYDIOM-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.75
Rot. Bonds3

About 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine

1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 114729955) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID114729955
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cc(C)ccc2o1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C16H14Cl2N2O/c1-9-3-4-13-10(5-9)6-14(21-13)16(19-2)15-12(18)7-11(17)8-20-15/h3-8,16,19H,1-2H3
InChIKeyAZJMPFCANYDIOM-UHFFFAOYSA-N
XLogP4.75
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5-chloro-1-benzofuran-2-yl)-(3,5-dichloro-2-pyridinyl)methyl]hydrazine
CID 105248605
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 114727660
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114730873
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107503555
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methyl-3-pyridinyl)methanamine
CID 105173880
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(6-methyl-2-pyridinyl)methanamine
CID 114728572
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 79780803
1-(1-ethylimidazol-2-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105149774
[(3,5-dichloro-2-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105248604
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methylfuran-3-yl)methanamine
CID 105045142

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine (CID 114729955) is 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine is CNC(c1cc2cc(C)ccc2o1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is AZJMPFCANYDIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-9-3-4-13-10(5-9)6-14(21-13)16(19-2)15-12(18)7-11(17)8-20-15/h3-8,16,19H,1-2H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 321.21 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114729955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).