4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine

C13H13BrFN3 — CID 114894593

IUPAC4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine
SMILESNc1cc(CC(N)c2cc(Br)ccc2F)ccn1
InChIInChI=1S/C13H13BrFN3/c14-9-1-2-11(15)10(7-9)12(16)5-8-3-4-18-13(17)6-8/h1-4,6-7,12H,5,16H2,(H2,17,18)
InChIKeyOCHRPZJPHJCKCP-UHFFFAOYSA-N
MW310.17 g/mol
LogP2.81
Rot. Bonds3

About 4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine

4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 114894593) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is 4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID114894593
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine
SMILESNc1cc(CC(N)c2cc(Br)ccc2F)ccn1
InChIInChI=1S/C13H13BrFN3/c14-9-1-2-11(15)10(7-9)12(16)5-8-3-4-18-13(17)6-8/h1-4,6-7,12H,5,16H2,(H2,17,18)
InChIKeyOCHRPZJPHJCKCP-UHFFFAOYSA-N
XLogP2.81
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 114894483
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
1-(5-bromo-2-fluorophenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114894465
1-(5-bromo-2-fluorophenyl)-3-methylbutane-1,3-diamine
CID 116933616
2-(2-bromo-5-fluorophenyl)-1-(5-bromo-2-fluorophenyl)ethanamine
CID 114894635
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanenitrile
CID 130969387
1-(5-bromo-2-fluorophenyl)-2-methylsulfanylethanamine
CID 79742207
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301920
1-(4-bromo-2-chlorophenyl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043078
2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885790
1-(5-bromo-2-fluorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 114894611
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine (CID 114894593) is 4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine is Nc1cc(CC(N)c2cc(Br)ccc2F)ccn1.
What is the InChIKey of 4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is OCHRPZJPHJCKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c14-9-1-2-11(15)10(7-9)12(16)5-8-3-4-18-13(17)6-8/h1-4,6-7,12H,5,16H2,(H2,17,18).
What are the key properties of 4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine?
4-[2-amino-2-(5-bromo-2-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 310.17 g/mol, XLogP of 2.81, 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-2-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 114894593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).