1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine

C15H23FN2O — CID 116767893

IUPAC1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)C1(OC)CCCC(C)C1
InChIInChI=1S/C15H23FN2O/c1-11-5-4-6-15(8-11,19-3)14(17-2)12-7-13(16)10-18-9-12/h7,9-11,14,17H,4-6,8H2,1-3H3
InChIKeyWBDMQMDMNKLNFB-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.08
Rot. Bonds4

About 1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine

1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine (PubChem CID 116767893) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
PubChem CID116767893
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)C1(OC)CCCC(C)C1
InChIInChI=1S/C15H23FN2O/c1-11-5-4-6-15(8-11,19-3)14(17-2)12-7-13(16)10-18-9-12/h7,9-11,14,17H,4-6,8H2,1-3H3
InChIKeyWBDMQMDMNKLNFB-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethoxy-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767768
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116767757
(1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol
CID 116755152
1-(1-ethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767747
1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 116770894
(5-fluoro-3-pyridinyl)-(1-methoxycyclopentyl)methanol
CID 104610410
[(3-fluoro-4-pyridinyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 105277528
1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 62796571
1-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767849
[(1-methoxy-3-methylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105277458
(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 116755046
2-(3-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767827

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine (CID 116767893) is 1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine is CNC(c1cncc(F)c1)C1(OC)CCCC(C)C1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
The InChIKey is WBDMQMDMNKLNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11-5-4-6-15(8-11,19-3)14(17-2)12-7-13(16)10-18-9-12/h7,9-11,14,17H,4-6,8H2,1-3H3.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine?
1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine has a molecular weight of 266.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 116767893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).