2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine

C16H25BrN2 — CID 104802559

IUPAC2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCC(C)C1CCC(C(N)Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C16H25BrN2/c1-11(2)12-3-5-13(6-4-12)16(18)9-15-8-7-14(17)10-19-15/h7-8,10-13,16H,3-6,9,18H2,1-2H3
InChIKeyOSLXYBRYJVARAM-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.18
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine

2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine (PubChem CID 104802559) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
PubChem CID104802559
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCC(C)C1CCC(C(N)Cc2ccc(Br)cn2)CC1
InChIInChI=1S/C16H25BrN2/c1-11(2)12-3-5-13(6-4-12)16(18)9-15-8-7-14(17)10-19-15/h7-8,10-13,16H,3-6,9,18H2,1-2H3
InChIKeyOSLXYBRYJVARAM-UHFFFAOYSA-N
XLogP4.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-cyclohexylethanamine
CID 104801170
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802565
2-(5-bromo-2-pyridinyl)-1-(2-methylcyclopentyl)ethanamine
CID 107190834
2-(5-chloro-2-pyridinyl)-1-cyclopropylethanamine
CID 63352704
3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol
CID 103456719
1-cyclopentyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446145
2-(5-bromo-2-pyridinyl)-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 104803700
2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanamine
CID 104802615
2-(5-ethyl-2-pyridinyl)-1-(4-propylcyclohexyl)ethanamine
CID 79747695
5-bromo-2-(3-chloro-2-methylpropyl)pyridine
CID 104813254
1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105036506
2-[(5-bromo-2-pyridinyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 104800080

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine (CID 104802559) is 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine is CC(C)C1CCC(C(N)Cc2ccc(Br)cn2)CC1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
The InChIKey is OSLXYBRYJVARAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-11(2)12-3-5-13(6-4-12)16(18)9-15-8-7-14(17)10-19-15/h7-8,10-13,16H,3-6,9,18H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine?
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine has a molecular weight of 325.29 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine is sourced from PubChem (CID 104802559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).