N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine

C15H14N2O — CID 42630443

IUPACN-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine
SMILESc1cc(CNCc2ccc3occc3c2)ccn1
InChIInChI=1S/C15H14N2O/c1-2-15-14(5-8-18-15)9-13(1)11-17-10-12-3-6-16-7-4-12/h1-9,17H,10-11H2
InChIKeyWEVSIGPUGQNODA-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.12
Rot. Bonds4

About N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine

N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine (PubChem CID 42630443) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine
PubChem CID42630443
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC NameN-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine
SMILESc1cc(CNCc2ccc3occc3c2)ccn1
InChIInChI=1S/C15H14N2O/c1-2-15-14(5-8-18-15)9-13(1)11-17-10-12-3-6-16-7-4-12/h1-9,17H,10-11H2
InChIKeyWEVSIGPUGQNODA-UHFFFAOYSA-N
XLogP3.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-5-yl)-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 126812768
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
3-(1-benzofuran-5-ylmethylamino)propanoic acid
CID 139017040
1-benzofuran-5-ylmethanamine
CID 2795182
1-(4-bromophenyl)-N-(pyridin-4-ylmethyl)methanamine
CID 834417
2-(1-benzofuran-5-yl)-N-methylethanamine
CID 168924293
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine;hydrobromide
CID 156593877
N-(1-benzofuran-5-ylmethyl)-1-[(2S,4S)-4-fluoro-1-(pyrimidin-2-ylmethyl)pyrrolidin-2-yl]methanamine
CID 154757483
1,7-bis(1-benzofuran-5-yl)heptane-3,5-dione
CID 58234278
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
3-(1-benzofuran-5-yl)-2-methylpropanal
CID 83829075
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine?
The IUPAC name of N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine (CID 42630443) is N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine is c1cc(CNCc2ccc3occc3c2)ccn1.
What is the InChIKey of N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine?
The InChIKey is WEVSIGPUGQNODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-15-14(5-8-18-15)9-13(1)11-17-10-12-3-6-16-7-4-12/h1-9,17H,10-11H2.
What are the key properties of N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine?
N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine has a molecular weight of 238.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-5-ylmethyl)-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 42630443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).