4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine

C13H19BrFN3 — CID 67389125

IUPAC4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine
SMILESNC1CCC(CC(N)c2ccc(Br)c(F)n2)CC1
InChIInChI=1S/C13H19BrFN3/c14-10-5-6-12(18-13(10)15)11(17)7-8-1-3-9(16)4-2-8/h5-6,8-9,11H,1-4,7,16-17H2
InChIKeyYOTWQRZLNHFTFN-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.89
Rot. Bonds3

About 4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine

4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine (PubChem CID 67389125) has the molecular formula C13H19BrFN3 and a molecular weight of 316.22 g/mol. Its IUPAC name is 4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine
PubChem CID67389125
Molecular FormulaC13H19BrFN3
Molecular Weight316.22 g/mol
Exact Mass315.07
IUPAC Name4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine
SMILESNC1CCC(CC(N)c2ccc(Br)c(F)n2)CC1
InChIInChI=1S/C13H19BrFN3/c14-10-5-6-12(18-13(10)15)11(17)7-8-1-3-9(16)4-2-8/h5-6,8-9,11H,1-4,7,16-17H2
InChIKeyYOTWQRZLNHFTFN-UHFFFAOYSA-N
XLogP2.89
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(1S)-N-[(6-bromo-2-pyridinyl)methyl]-2-phenylcyclopropan-1-amine
CID 87502497
1-(6-Bromopyridin-2-yl)cyclopropan-1-amine
CID 57346521
3-[5-(4-bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-6-(4-fluorophenyl)-2-methylpyridine
CID 171347794
1-(3,6-Dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethan-1-amine
CID 123767101
1-(3,6-Dibromo-2-pyridinyl)-2-(2,4-difluoro-7-bicyclo[4.1.0]hepta-2,4-dienyl)ethanamine
CID 163677896
1-(6-Bromopyridin-2-YL)ethanamine
CID 60133676
alpha-Methyl-6-phenyl-2-pyridinemethanamine
CID 74348125
(S)-1-(3,6-Dibromopyridin-2-yl)-2-(3,5-difluorophenyl)ethan-1-amine hydrochloride
CID 90375872
3-(5-Bromo-3-methyl-2-pyridinyl)-3-(4-fluorophenyl)propan-1-amine
CID 19861088
2,4-Dibromo-6-(4-fluorophenyl)-5-methylpyridin-3-amine
CID 23532608
2-Bromo-6-(4-fluorophenyl)pyridine
CID 45788370
2-Bromo-6-(2-fluorophenyl)pyridine
CID 45788409

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine (CID 67389125) is 4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine is NC1CCC(CC(N)c2ccc(Br)c(F)n2)CC1.
What is the InChIKey of 4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine?
The InChIKey is YOTWQRZLNHFTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN3/c14-10-5-6-12(18-13(10)15)11(17)7-8-1-3-9(16)4-2-8/h5-6,8-9,11H,1-4,7,16-17H2.
What are the key properties of 4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine?
4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine has a molecular weight of 316.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(5-bromo-6-fluoro-2-pyridinyl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 67389125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).