N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine

C18H21FN2O — CID 45251747

IUPACN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine
SMILESCc1cc(CNCC2(c3cccc(F)c3)CCOC2)ccn1
InChIInChI=1S/C18H21FN2O/c1-14-9-15(5-7-21-14)11-20-12-18(6-8-22-13-18)16-3-2-4-17(19)10-16/h2-5,7,9-10,20H,6,8,11-13H2,1H3
InChIKeyXLSHOJZPJBOGBS-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.98
Rot. Bonds5

About N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine

N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine (PubChem CID 45251747) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine
PubChem CID45251747
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine
SMILESCc1cc(CNCC2(c3cccc(F)c3)CCOC2)ccn1
InChIInChI=1S/C18H21FN2O/c1-14-9-15(5-7-21-14)11-20-12-18(6-8-22-13-18)16-3-2-4-17(19)10-16/h2-5,7,9-10,20H,6,8,11-13H2,1H3
InChIKeyXLSHOJZPJBOGBS-UHFFFAOYSA-N
XLogP2.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine?
The IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine (CID 45251747) is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine?
The canonical SMILES for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine is Cc1cc(CNCC2(c3cccc(F)c3)CCOC2)ccn1.
What is the InChIKey of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine?
The InChIKey is XLSHOJZPJBOGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-14-9-15(5-7-21-14)11-20-12-18(6-8-22-13-18)16-3-2-4-17(19)10-16/h2-5,7,9-10,20H,6,8,11-13H2,1H3.
What are the key properties of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine?
N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine has a molecular weight of 300.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1-(2-methyl-4-pyridinyl)methanamine is sourced from PubChem (CID 45251747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).