5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine

C15H17BrN2O — CID 115148422

IUPAC5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine
SMILESCCOc1ccc(Nc2ncc(Br)cc2C)cc1C
InChIInChI=1S/C15H17BrN2O/c1-4-19-14-6-5-13(8-10(14)2)18-15-11(3)7-12(16)9-17-15/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyULDFEKMWOJLWFO-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.60
Rot. Bonds4

About 5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine

5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine (PubChem CID 115148422) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine
PubChem CID115148422
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine
SMILESCCOc1ccc(Nc2ncc(Br)cc2C)cc1C
InChIInChI=1S/C15H17BrN2O/c1-4-19-14-6-5-13(8-10(14)2)18-15-11(3)7-12(16)9-17-15/h5-9H,4H2,1-3H3,(H,17,18)
InChIKeyULDFEKMWOJLWFO-UHFFFAOYSA-N
XLogP4.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-bromo-3-chlorophenyl)-3-methylpyridin-2-amine
CID 107616385
N-[3-(aminomethyl)-4-ethoxyphenyl]-5-bromo-3-chloropyridin-2-amine
CID 103584223
3,5-dibromo-N-(4-ethyl-3-methylphenyl)pyridin-2-amine
CID 114250505
5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 133373882
5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 84609052
3-bromo-2-N-(3,4-diethoxyphenyl)pyridine-2,5-diamine
CID 79530694
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpyridin-2-amine
CID 84604425
4-ethoxy-N-ethyl-3-methylaniline
CID 82490653
N-(2-chloroethyl)-4-ethoxy-3-methylaniline
CID 115214594
3-bromo-N-(4-ethoxy-3-fluorophenyl)-4-methylpyridin-2-amine
CID 106877436
4-N-(3,4-diethoxyphenyl)-5-methylpyrimidine-2,4-diamine
CID 80769404
5-bromo-3-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 53410205

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine (CID 115148422) is 5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine is CCOc1ccc(Nc2ncc(Br)cc2C)cc1C.
What is the InChIKey of 5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine?
The InChIKey is ULDFEKMWOJLWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-4-19-14-6-5-13(8-10(14)2)18-15-11(3)7-12(16)9-17-15/h5-9H,4H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine?
5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-ethoxy-3-methylphenyl)-3-methylpyridin-2-amine is sourced from PubChem (CID 115148422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).