1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine

C16H17FN2O — CID 66362951

IUPAC1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1ccc(CNCC2Cc3cc(F)ccc3O2)cn1
InChIInChI=1S/C16H17FN2O/c1-11-2-3-12(9-19-11)8-18-10-15-7-13-6-14(17)4-5-16(13)20-15/h2-6,9,15,18H,7-8,10H2,1H3
InChIKeySPLRXBXGVIJRBQ-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.62
Rot. Bonds4

About 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine

1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine (PubChem CID 66362951) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine
PubChem CID66362951
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine
SMILESCc1ccc(CNCC2Cc3cc(F)ccc3O2)cn1
InChIInChI=1S/C16H17FN2O/c1-11-2-3-12(9-19-11)8-18-10-15-7-13-6-14(17)4-5-16(13)20-15/h2-6,9,15,18H,7-8,10H2,1H3
InChIKeySPLRXBXGVIJRBQ-UHFFFAOYSA-N
XLogP2.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 66364689
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106399125
[3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]phenyl]methanol
CID 107230638
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(4-fluorophenyl)ethanamine
CID 66365064
N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 106010977
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106417792
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106400961
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66363725
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 66363121
N-[(2-chlorophenyl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66366030
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899706
N-[(2,5-difluorophenyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 60956581

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine (CID 66362951) is 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine is Cc1ccc(CNCC2Cc3cc(F)ccc3O2)cn1.
What is the InChIKey of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine?
The InChIKey is SPLRXBXGVIJRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-2-3-12(9-19-11)8-18-10-15-7-13-6-14(17)4-5-16(13)20-15/h2-6,9,15,18H,7-8,10H2,1H3.
What are the key properties of 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine?
1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine has a molecular weight of 272.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]methanamine is sourced from PubChem (CID 66362951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).