5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine

C12H18BrClN2O — CID 103580433

IUPAC5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine
SMILESCCOCC(Nc1ncc(Br)cc1Cl)C(C)C
InChIInChI=1S/C12H18BrClN2O/c1-4-17-7-11(8(2)3)16-12-10(14)5-9(13)6-15-12/h5-6,8,11H,4,7H2,1-3H3,(H,15,16)
InChIKeyUEUDIZKTSHGHSD-UHFFFAOYSA-N
MW321.65 g/mol
LogP3.97
Rot. Bonds6

About 5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine

5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine (PubChem CID 103580433) has the molecular formula C12H18BrClN2O and a molecular weight of 321.65 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine
PubChem CID103580433
Molecular FormulaC12H18BrClN2O
Molecular Weight321.65 g/mol
Exact Mass320.03
IUPAC Name5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine
SMILESCCOCC(Nc1ncc(Br)cc1Cl)C(C)C
InChIInChI=1S/C12H18BrClN2O/c1-4-17-7-11(8(2)3)16-12-10(14)5-9(13)6-15-12/h5-6,8,11H,4,7H2,1-3H3,(H,15,16)
InChIKeyUEUDIZKTSHGHSD-UHFFFAOYSA-N
XLogP3.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-N-(2-methylpentan-3-yl)pyridin-2-amine
CID 103582444
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
CID 79718710
5-bromo-3-chloro-N-(1-methoxypentan-2-yl)pyridin-2-amine
CID 103582537
5-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)pyridine-2,3-diamine
CID 65047155
5-bromo-3-chloro-N-(1-chloropropan-2-yl)pyridin-2-amine
CID 103584101
5-bromo-3-chloro-N-(1-ethylsulfanylpropan-2-yl)pyridin-2-amine
CID 103582641
5-bromo-N-but-3-yn-2-yl-3-chloropyridin-2-amine
CID 103582656
(2S)-2-[(5-bromo-3-chloro-2-pyridinyl)amino]-3-methylbutanoic acid
CID 122049570
5-bromo-3-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 103582571
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)pyrimidin-2-amine
CID 65048689
5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681252
5-bromo-3-chloro-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681216

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine (CID 103580433) is 5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine is CCOCC(Nc1ncc(Br)cc1Cl)C(C)C.
What is the InChIKey of 5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine?
The InChIKey is UEUDIZKTSHGHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2O/c1-4-17-7-11(8(2)3)16-12-10(14)5-9(13)6-15-12/h5-6,8,11H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine?
5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine has a molecular weight of 321.65 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 103580433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).