1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine

C17H17FN2O — CID 105186518

IUPAC1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H17FN2O/c1-19-15(9-8-13-6-2-3-10-20-13)16-11-12-5-4-7-14(18)17(12)21-16/h2-7,10-11,15,19H,8-9H2,1H3
InChIKeySUAMDKLYIOEHSO-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.86
Rot. Bonds5

About 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine

1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 105186518) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
PubChem CID105186518
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCNC(CCc1ccccn1)c1cc2cccc(F)c2o1
InChIInChI=1S/C17H17FN2O/c1-19-15(9-8-13-6-2-3-10-20-13)16-11-12-5-4-7-14(18)17(12)21-16/h2-7,10-11,15,19H,8-9H2,1H3
InChIKeySUAMDKLYIOEHSO-UHFFFAOYSA-N
XLogP3.86
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-fluoro-1-benzofuran-2-yl)-3-pyridin-2-ylpropan-1-amine
CID 105186531
1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184842
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 114728123
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-propoxypropan-1-amine
CID 105186440
1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105143030
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-2-thiophen-2-ylethanamine
CID 114728325
2-tert-butylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114728944
1-(2-fluoro-4,6-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106883930
1-(2,6-difluorophenyl)-N-methyl-4-pyridin-2-ylbutan-2-amine
CID 105190641
1-(3-bromo-2-fluorophenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 106647594
N-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 105185489

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine (CID 105186518) is 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine is CNC(CCc1ccccn1)c1cc2cccc(F)c2o1.
What is the InChIKey of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is SUAMDKLYIOEHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-19-15(9-8-13-6-2-3-10-20-13)16-11-12-5-4-7-14(18)17(12)21-16/h2-7,10-11,15,19H,8-9H2,1H3.
What are the key properties of 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 284.33 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105186518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).