(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine

C15H23FN2O — CID 116768147

IUPAC(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESCCOC1(C(N)c2ccncc2F)CCCC(C)C1
InChIInChI=1S/C15H23FN2O/c1-3-19-15(7-4-5-11(2)9-15)14(17)12-6-8-18-10-13(12)16/h6,8,10-11,14H,3-5,7,9,17H2,1-2H3
InChIKeyOGIUMOIQUJJQBK-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.21
Rot. Bonds4

About (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine

(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine (PubChem CID 116768147) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine
PubChem CID116768147
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine
SMILESCCOC1(C(N)c2ccncc2F)CCCC(C)C1
InChIInChI=1S/C15H23FN2O/c1-3-19-15(7-4-5-11(2)9-15)14(17)12-6-8-18-10-13(12)16/h6,8,10-11,14H,3-5,7,9,17H2,1-2H3
InChIKeyOGIUMOIQUJJQBK-UHFFFAOYSA-N
XLogP3.21
TPSA48.14 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105277741
(2,4-difluorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768109
(1-ethoxy-3-methylcyclohexyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 103395911
[(3-fluoro-4-pyridinyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 105277528
(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanamine
CID 116768146
(1-ethoxy-3-methylcyclohexyl)-(5-fluoro-3-pyridinyl)methanol
CID 116755152
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanamine
CID 105038093
(1-ethoxy-3-methylcyclohexyl)-(1-propylimidazol-2-yl)methanamine
CID 116768061
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
1-(2,6-difluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116768316
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine (CID 116768147) is (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine is CCOC1(C(N)c2ccncc2F)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine?
The InChIKey is OGIUMOIQUJJQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-19-15(7-4-5-11(2)9-15)14(17)12-6-8-18-10-13(12)16/h6,8,10-11,14H,3-5,7,9,17H2,1-2H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine?
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine has a molecular weight of 266.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine is sourced from PubChem (CID 116768147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).