5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine

C16H19BrN2O — CID 115148643

IUPAC5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
SMILESCOc1ccc(C)cc1CCNc1ncc(Br)cc1C
InChIInChI=1S/C16H19BrN2O/c1-11-4-5-15(20-3)13(8-11)6-7-18-16-12(2)9-14(17)10-19-16/h4-5,8-10H,6-7H2,1-3H3,(H,18,19)
InChIKeyKGRGDMTZTVSKPT-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.12
Rot. Bonds5

About 5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine

5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine (PubChem CID 115148643) has the molecular formula C16H19BrN2O and a molecular weight of 335.25 g/mol. Its IUPAC name is 5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
PubChem CID115148643
Molecular FormulaC16H19BrN2O
Molecular Weight335.25 g/mol
Exact Mass334.07
IUPAC Name5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine
SMILESCOc1ccc(C)cc1CCNc1ncc(Br)cc1C
InChIInChI=1S/C16H19BrN2O/c1-11-4-5-15(20-3)13(8-11)6-7-18-16-12(2)9-14(17)10-19-16/h4-5,8-10H,6-7H2,1-3H3,(H,18,19)
InChIKeyKGRGDMTZTVSKPT-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146824
5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 133373882
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methoxyphenyl)acetamide
CID 81489105
5-bromo-N-[2-(1H-imidazol-5-yl)ethyl]-3-methylpyridin-2-amine
CID 79718614
5-bromo-N-[2-(3,5-difluorophenyl)ethyl]-3-methylpyridin-2-amine
CID 79719091
5-bromo-3-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]pyridin-2-amine
CID 115148658
3,5-dibromo-N-[2-(2-methylphenyl)ethyl]pyridin-2-amine
CID 113413714
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
CID 79718796
6-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylquinolin-4-amine
CID 167985804
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
N-(5-bromo-3-methyl-2-pyridinyl)-N',N'-dimethylbutane-1,4-diamine
CID 79717787
5-bromo-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103757218

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine (CID 115148643) is 5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine is COc1ccc(C)cc1CCNc1ncc(Br)cc1C.
What is the InChIKey of 5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine?
The InChIKey is KGRGDMTZTVSKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O/c1-11-4-5-15(20-3)13(8-11)6-7-18-16-12(2)9-14(17)10-19-16/h4-5,8-10H,6-7H2,1-3H3,(H,18,19).
What are the key properties of 5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine?
5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine has a molecular weight of 335.25 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 115148643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).