5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

C22H30FN3O2 — CID 119048013

IUPAC5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CNCC2(c3ccc(F)cc3)CCOCC2)cn1
InChIInChI=1S/C22H30FN3O2/c1-26(11-14-27-2)21-8-3-18(16-25-21)15-24-17-22(9-12-28-13-10-22)19-4-6-20(23)7-5-19/h3-8,16,24H,9-15,17H2,1-2H3
InChIKeyCRJJMPWXWOXXBQ-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.14
Rot. Bonds9

About 5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (PubChem CID 119048013) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
PubChem CID119048013
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CNCC2(c3ccc(F)cc3)CCOCC2)cn1
InChIInChI=1S/C22H30FN3O2/c1-26(11-14-27-2)21-8-3-18(16-25-21)15-24-17-22(9-12-28-13-10-22)19-4-6-20(23)7-5-19/h3-8,16,24H,9-15,17H2,1-2H3
InChIKeyCRJJMPWXWOXXBQ-UHFFFAOYSA-N
XLogP3.14
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (CID 119048013) is 5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is COCCN(C)c1ccc(CNCC2(c3ccc(F)cc3)CCOCC2)cn1.
What is the InChIKey of 5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The InChIKey is CRJJMPWXWOXXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-26(11-14-27-2)21-8-3-18(16-25-21)15-24-17-22(9-12-28-13-10-22)19-4-6-20(23)7-5-19/h3-8,16,24H,9-15,17H2,1-2H3.
What are the key properties of 5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine has a molecular weight of 387.50 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[4-(4-fluorophenyl)oxan-4-yl]methylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 119048013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).