2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine

C14H19BrF2N2 — CID 105181039

IUPAC2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cn1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H19BrF2N2/c1-18-13(8-12-3-2-11(15)9-19-12)10-4-6-14(16,17)7-5-10/h2-3,9-10,13,18H,4-8H2,1H3
InChIKeyGZXRMIAQEBGNGG-UHFFFAOYSA-N
MW333.22 g/mol
LogP3.80
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine

2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine (PubChem CID 105181039) has the molecular formula C14H19BrF2N2 and a molecular weight of 333.22 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
PubChem CID105181039
Molecular FormulaC14H19BrF2N2
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cn1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H19BrF2N2/c1-18-13(8-12-3-2-11(15)9-19-12)10-4-6-14(16,17)7-5-10/h2-3,9-10,13,18H,4-8H2,1H3
InChIKeyGZXRMIAQEBGNGG-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 113455010
2-(5-bromo-2-pyridinyl)-N-methyl-1-(oxan-3-yl)ethanamine
CID 104802480
1-cyclopropyl-2-(5-fluoro-2-pyridinyl)-N-methylethanamine
CID 63353175
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802565
2-(4-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105139327
[2-(5-bromo-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229627
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
2-(5-bromo-2-pyridinyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 104802066
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
[2-(5-bromo-2-pyridinyl)-1-(2,2-dimethylcyclopropyl)ethyl]hydrazine
CID 107005841
1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105036506

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine (CID 105181039) is 2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine is CNC(Cc1ccc(Br)cn1)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine?
The InChIKey is GZXRMIAQEBGNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrF2N2/c1-18-13(8-12-3-2-11(15)9-19-12)10-4-6-14(16,17)7-5-10/h2-3,9-10,13,18H,4-8H2,1H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine?
2-(5-bromo-2-pyridinyl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine has a molecular weight of 333.22 g/mol, XLogP of 3.80, 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-(4,4-difluorocyclohexyl)-N-methylethanamine is sourced from PubChem (CID 105181039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).