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

C18H29BrN2 — CID 104802565

IUPAC2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cn1)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H29BrN2/c1-4-20-18(11-17-10-9-16(19)12-21-17)15-7-5-14(6-8-15)13(2)3/h9-10,12-15,18,20H,4-8,11H2,1-3H3
InChIKeyANZLKCHBGWVRTR-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.83
Rot. Bonds6

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

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine (PubChem CID 104802565) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
PubChem CID104802565
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
SMILESCCNC(Cc1ccc(Br)cn1)C1CCC(C(C)C)CC1
InChIInChI=1S/C18H29BrN2/c1-4-20-18(11-17-10-9-16(19)12-21-17)15-7-5-14(6-8-15)13(2)3/h9-10,12-15,18,20H,4-8,11H2,1-3H3
InChIKeyANZLKCHBGWVRTR-UHFFFAOYSA-N
XLogP4.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine
CID 104802554
2-(5-bromo-2-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802559
1-(5-bromo-2-pyridinyl)-3-cyclobutyl-N-ethylpropan-2-amine
CID 103169483
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)ethanamine
CID 104802183
1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105036506
2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105181039
2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 113455010
[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229627
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
CID 105036427
N-[2-(5-bromo-2-pyridinyl)-1-(2-methylcyclopentyl)ethyl]propan-1-amine
CID 107190842
1-(5-bromo-2-pyridinyl)-4-cyclohexyl-N-ethylbutan-2-amine
CID 105036409
3-(5-bromo-2-pyridinyl)-1-cyclopropylpropane-1,2-diol
CID 103456719

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine (CID 104802565) is 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine is CCNC(Cc1ccc(Br)cn1)C1CCC(C(C)C)CC1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
The InChIKey is ANZLKCHBGWVRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-4-20-18(11-17-10-9-16(19)12-21-17)15-7-5-14(6-8-15)13(2)3/h9-10,12-15,18,20H,4-8,11H2,1-3H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine?
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine has a molecular weight of 353.35 g/mol, XLogP of 4.83, 6 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)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine is sourced from PubChem (CID 104802565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).