1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine

C17H19FN2O — CID 72943649

IUPAC1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine
SMILESCOc1cc(F)ccc1-c1cncc(CNCC2CC2)c1
InChIInChI=1S/C17H19FN2O/c1-21-17-7-15(18)4-5-16(17)14-6-13(10-20-11-14)9-19-8-12-2-3-12/h4-7,10-12,19H,2-3,8-9H2,1H3
InChIKeyGFUNKQRJGBZUSJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.40
Rot. Bonds6

About 1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine

1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine (PubChem CID 72943649) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine
PubChem CID72943649
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine
SMILESCOc1cc(F)ccc1-c1cncc(CNCC2CC2)c1
InChIInChI=1S/C17H19FN2O/c1-21-17-7-15(18)4-5-16(17)14-6-13(10-20-11-14)9-19-8-12-2-3-12/h4-7,10-12,19H,2-3,8-9H2,1H3
InChIKeyGFUNKQRJGBZUSJ-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine (CID 72943649) is 1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine is COc1cc(F)ccc1-c1cncc(CNCC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine?
The InChIKey is GFUNKQRJGBZUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-21-17-7-15(18)4-5-16(17)14-6-13(10-20-11-14)9-19-8-12-2-3-12/h4-7,10-12,19H,2-3,8-9H2,1H3.
What are the key properties of 1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine?
1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine has a molecular weight of 286.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[5-(4-fluoro-2-methoxyphenyl)-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 72943649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).