3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine

C14H20BrFN2 — CID 142590039

IUPAC3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine
SMILESCC1CCC([C@@H](C)Nc2ncc(F)cc2Br)CC1
InChIInChI=1S/C14H20BrFN2/c1-9-3-5-11(6-4-9)10(2)18-14-13(15)7-12(16)8-17-14/h7-11H,3-6H2,1-2H3,(H,17,18)/t9?,10-,11?/m1/s1
InChIKeyQZBMGKFKHKHTHQ-HSOILSAZSA-N
MW315.23 g/mol
LogP4.61
Rot. Bonds3

About 3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine

3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine (PubChem CID 142590039) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine
PubChem CID142590039
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine
SMILESCC1CCC([C@@H](C)Nc2ncc(F)cc2Br)CC1
InChIInChI=1S/C14H20BrFN2/c1-9-3-5-11(6-4-9)10(2)18-14-13(15)7-12(16)8-17-14/h7-11H,3-6H2,1-2H3,(H,17,18)/t9?,10-,11?/m1/s1
InChIKeyQZBMGKFKHKHTHQ-HSOILSAZSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine (CID 142590039) is 3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine is CC1CCC([C@@H](C)Nc2ncc(F)cc2Br)CC1.
What is the InChIKey of 3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine?
The InChIKey is QZBMGKFKHKHTHQ-HSOILSAZSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-9-3-5-11(6-4-9)10(2)18-14-13(15)7-12(16)8-17-14/h7-11H,3-6H2,1-2H3,(H,17,18)/t9?,10-,11?/m1/s1.
What are the key properties of 3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine?
3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine has a molecular weight of 315.23 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-N-[(1R)-1-(4-methylcyclohexyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 142590039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).