5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine

C14H15BrN2O — CID 123369518

IUPAC5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine
SMILESCc1ccccc1C(C)Oc1cc(Br)cnc1N
InChIInChI=1S/C14H15BrN2O/c1-9-5-3-4-6-12(9)10(2)18-13-7-11(15)8-17-14(13)16/h3-8,10H,1-2H3,(H2,16,17)
InChIKeyDAHZVMBOGZPAAI-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.87
Rot. Bonds3

About 5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine

5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine (PubChem CID 123369518) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine
PubChem CID123369518
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine
SMILESCc1ccccc1C(C)Oc1cc(Br)cnc1N
InChIInChI=1S/C14H15BrN2O/c1-9-5-3-4-6-12(9)10(2)18-13-7-11(15)8-17-14(13)16/h3-8,10H,1-2H3,(H2,16,17)
InChIKeyDAHZVMBOGZPAAI-UHFFFAOYSA-N
XLogP3.87
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[1-(2-methoxyphenyl)ethoxy]pyridin-2-amine
CID 170429337
5-bromo-3-[(1R)-1-(2-chlorophenyl)ethoxy]pyridin-2-amine
CID 164858696
5-bromo-3-[1-(3-chlorophenyl)ethoxy]pyridin-2-amine
CID 170429171
5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine
CID 164858653
5-bromo-3-[(1S)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395748
5-bromo-3-[(1R)-1-(2-chloro-5-fluorophenyl)ethoxy]pyridin-2-amine
CID 129395746
5-bromo-3-[(1R)-1-(6-fluoroquinolin-8-yl)ethoxy]pyridin-2-amine
CID 124675155
5-bromo-3-[(1R)-1-(2-methyl-1,3-thiazol-4-yl)ethoxy]pyridin-2-amine
CID 164859055
5-bromo-3-[1-(3,5-difluoro-4-pyridinyl)ethoxy]pyridin-2-amine
CID 170429363
5-bromo-3-(1-phenylpropoxy)pyridin-2-amine
CID 164859806
5-bromo-3-[1-(1,3-thiazol-2-yl)ethoxy]pyridin-2-amine
CID 170429449
5-bromo-3-[(1R)-1-(6-fluoro-1,3-benzothiazol-4-yl)ethoxy]pyridin-2-amine
CID 124675134

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine?
The IUPAC name of 5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine (CID 123369518) is 5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine is Cc1ccccc1C(C)Oc1cc(Br)cnc1N.
What is the InChIKey of 5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine?
The InChIKey is DAHZVMBOGZPAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-5-3-4-6-12(9)10(2)18-13-7-11(15)8-17-14(13)16/h3-8,10H,1-2H3,(H2,16,17).
What are the key properties of 5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine?
5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine has a molecular weight of 307.19 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[1-(2-methylphenyl)ethoxy]pyridin-2-amine is sourced from PubChem (CID 123369518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).