N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine

C17H17FN2O — CID 114732428

IUPACN-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(-c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C17H17FN2O/c1-11(2)20-9-12-5-14(10-19-8-12)17-7-13-6-15(18)3-4-16(13)21-17/h3-8,10-11,20H,9H2,1-2H3
InChIKeyLUEAVZVZZSDUTH-UHFFFAOYSA-N
MW284.33 g/mol
LogP4.13
Rot. Bonds4

About N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 114732428) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID114732428
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(-c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C17H17FN2O/c1-11(2)20-9-12-5-14(10-19-8-12)17-7-13-6-15(18)3-4-16(13)21-17/h3-8,10-11,20H,9H2,1-2H3
InChIKeyLUEAVZVZZSDUTH-UHFFFAOYSA-N
XLogP4.13
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]propan-2-amine
CID 114732415
N-[(5-fluoro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 65438994
N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 114732262
2-[[2-[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]-6-propylpyrimidin-4-yl]amino]-4-methylpentanoic acid
CID 22170056
3-(5-fluoro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 114735623
1-[3-(5-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114731929
6-(5-fluoro-1-benzofuran-2-yl)-N-propylpyrazin-2-amine
CID 114734823
N-[[5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 113469801
1-[(1S)-1-(5-fluoro-1-benzofuran-2-yl)ethyl]-3-(pyridin-4-ylmethyl)urea
CID 100700326
N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732421
N-[[5-(1-ethylpyrazol-4-yl)-3-pyridinyl]methyl]propan-2-amine
CID 113469689
4-methoxy-3-[5-[(propan-2-ylamino)methyl]-3-pyridinyl]benzonitrile
CID 106951034

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine (CID 114732428) is N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cncc(-c2cc3cc(F)ccc3o2)c1.
What is the InChIKey of N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is LUEAVZVZZSDUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11(2)20-9-12-5-14(10-19-8-12)17-7-13-6-15(18)3-4-16(13)21-17/h3-8,10-11,20H,9H2,1-2H3.
What are the key properties of N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 284.33 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-fluoro-1-benzofuran-2-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 114732428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).