1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine

C16H15BrN2O — CID 114730873

IUPAC1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1ccc(Br)cn1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H15BrN2O/c1-10-3-6-14-11(7-10)8-15(20-14)16(18-2)13-5-4-12(17)9-19-13/h3-9,16,18H,1-2H3
InChIKeyBMCULDKYGFEJML-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.21
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine

1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 114730873) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID114730873
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1ccc(Br)cn1)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H15BrN2O/c1-10-3-6-14-11(7-10)8-15(20-14)16(18-2)13-5-4-12(17)9-19-13/h3-9,16,18H,1-2H3
InChIKeyBMCULDKYGFEJML-UHFFFAOYSA-N
XLogP4.21
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105189766
1-(5-bromo-2-pyridinyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 115606081
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(6-methyl-2-pyridinyl)methanamine
CID 114728572
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
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114729955
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
1-(5-bromo-3-methyltriazol-4-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 106465372
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045169
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
[(5-methyl-1-benzofuran-2-yl)-pyridin-2-ylmethyl]hydrazine
CID 105195743

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine (CID 114730873) is 1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine is CNC(c1ccc(Br)cn1)c1cc2cc(C)ccc2o1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is BMCULDKYGFEJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-10-3-6-14-11(7-10)8-15(20-14)16(18-2)13-5-4-12(17)9-19-13/h3-9,16,18H,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 331.21 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114730873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).