2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine

C16H25BrN2O — CID 116768183

IUPAC2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2cncc(Br)c2)CCCC(C)C1
InChIInChI=1S/C16H25BrN2O/c1-3-20-16(6-4-5-12(2)9-16)15(18)8-13-7-14(17)11-19-10-13/h7,10-12,15H,3-6,8-9,18H2,1-2H3
InChIKeyBCABRTQOQDGWRW-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.70
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine

2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine (PubChem CID 116768183) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
PubChem CID116768183
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2cncc(Br)c2)CCCC(C)C1
InChIInChI=1S/C16H25BrN2O/c1-3-20-16(6-4-5-12(2)9-16)15(18)8-13-7-14(17)11-19-10-13/h7,10-12,15H,3-6,8-9,18H2,1-2H3
InChIKeyBCABRTQOQDGWRW-UHFFFAOYSA-N
XLogP3.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
2-(4-chlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116768047
2-(5-bromo-3-pyridinyl)-1-(1-ethoxycyclopentyl)ethanol
CID 116753226
1-(1-ethoxy-3-methylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 116768070
1-[(5-bromo-3-pyridinyl)methyl]-3-methylcyclohexan-1-amine
CID 104802690
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348409
1-(1-ethoxy-3-methylcyclohexyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 116767958
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
2-(2-chloro-5-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 102619404
1-(1-ethoxy-3-methylcyclohexyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 116768134
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
1-(1-methoxy-3-methylcyclohexyl)-2-pyridin-4-ylethanamine
CID 116767493

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine (CID 116768183) is 2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine is CCOC1(C(N)Cc2cncc(Br)c2)CCCC(C)C1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine?
The InChIKey is BCABRTQOQDGWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-3-20-16(6-4-5-12(2)9-16)15(18)8-13-7-14(17)11-19-10-13/h7,10-12,15H,3-6,8-9,18H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine?
2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine has a molecular weight of 341.29 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanamine is sourced from PubChem (CID 116768183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).