N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine

C17H18N2O — CID 114955011

IUPACN-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1CNCc1c(C)oc2ccccc12
InChIInChI=1S/C17H18N2O/c1-12-7-8-18-9-14(12)10-19-11-16-13(2)20-17-6-4-3-5-15(16)17/h3-9,19H,10-11H2,1-2H3
InChIKeyPHFMESGBONWNFL-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.73
Rot. Bonds4

About N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine

N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine (PubChem CID 114955011) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
PubChem CID114955011
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
SMILESCc1ccncc1CNCc1c(C)oc2ccccc12
InChIInChI=1S/C17H18N2O/c1-12-7-8-18-9-14(12)10-19-11-16-13(2)20-17-6-4-3-5-15(16)17/h3-9,19H,10-11H2,1-2H3
InChIKeyPHFMESGBONWNFL-UHFFFAOYSA-N
XLogP3.73
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 82731871
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(2-methyl-1-benzofuran-3-yl)methyl]methanamine
CID 167842382
[4-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]phenyl]methanol
CID 107230098
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 115774534
4-[[(4-methyl-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 114954745
N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
CID 114955473
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748
2,2-difluoro-3-[(2-methyl-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 113462728
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 103859053
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1-benzofuran-3-yl)methanamine
CID 103859199
3-[[(2-methyl-1-benzofuran-3-yl)methylamino]methyl]benzoic acid
CID 167810781

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine (CID 114955011) is N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine is Cc1ccncc1CNCc1c(C)oc2ccccc12.
What is the InChIKey of N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is PHFMESGBONWNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-7-8-18-9-14(12)10-19-11-16-13(2)20-17-6-4-3-5-15(16)17/h3-9,19H,10-11H2,1-2H3.
What are the key properties of N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine?
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 266.34 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 114955011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).