5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine

C13H18BrFN2 — CID 114046501

IUPAC5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
SMILESFc1cc(Br)cnc1NCCC1CCCCC1
InChIInChI=1S/C13H18BrFN2/c14-11-8-12(15)13(17-9-11)16-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,16,17)
InChIKeyGHSAZNFWXJYTLC-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.37
Rot. Bonds4

About 5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine

5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine (PubChem CID 114046501) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
PubChem CID114046501
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
SMILESFc1cc(Br)cnc1NCCC1CCCCC1
InChIInChI=1S/C13H18BrFN2/c14-11-8-12(15)13(17-9-11)16-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,16,17)
InChIKeyGHSAZNFWXJYTLC-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
CID 61227864
5-bromo-N-cyclohexyl-3-fluoropyridin-2-amine
CID 104923658
N-[[2-(aminomethyl)cyclohexyl]methyl]-5-bromo-3-fluoropyridin-2-amine
CID 114047966
4-[[(5-bromo-3-fluoro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 106129928
5-bromo-N-cyclobutyl-3-fluoropyridin-2-amine
CID 104924229
5-bromo-N-(2-cyclohexylethyl)-2-(methylamino)pyridine-3-sulfonamide
CID 63473639
3,5-dibromo-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 113413746
N-(5-bromo-3-fluoro-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 104923678
5-bromo-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 104923732
5-bromo-N-[2-(cyclopenten-1-yl)ethyl]-3-fluoropyridin-2-amine
CID 104925005

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine?
The IUPAC name of 5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine (CID 114046501) is 5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for 5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine is Fc1cc(Br)cnc1NCCC1CCCCC1.
What is the InChIKey of 5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine?
The InChIKey is GHSAZNFWXJYTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c14-11-8-12(15)13(17-9-11)16-7-6-10-4-2-1-3-5-10/h8-10H,1-7H2,(H,16,17).
What are the key properties of 5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine?
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine has a molecular weight of 301.20 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 114046501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).