5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine

C15H17BrN2O — CID 115146686

IUPAC5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine
SMILESCOc1c(C)cc(C)cc1CNc1ccc(Br)cn1
InChIInChI=1S/C15H17BrN2O/c1-10-6-11(2)15(19-3)12(7-10)8-17-14-5-4-13(16)9-18-14/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyNIMBUTMIGPWPNM-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.08
Rot. Bonds4

About 5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine

5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine (PubChem CID 115146686) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine
PubChem CID115146686
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine
SMILESCOc1c(C)cc(C)cc1CNc1ccc(Br)cn1
InChIInChI=1S/C15H17BrN2O/c1-10-6-11(2)15(19-3)12(7-10)8-17-14-5-4-13(16)9-18-14/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyNIMBUTMIGPWPNM-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-2-amine
CID 75372885
5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 115146650
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421
5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146824
5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146816
5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
CID 86054296
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
CID 115146811
N-[(4-bromophenyl)methyl]-5-methoxypyridin-2-amine
CID 103802163
N-(5-bromo-2-pyridinyl)-2-methoxy-4,6-dimethylbenzamide
CID 115274010
ethane;N-[(2-methoxy-3,5-dimethylphenyl)methyl]ethanamine;propane
CID 176965315
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 61374133
5-bromo-N-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-amine
CID 115147105

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine (CID 115146686) is 5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine is COc1c(C)cc(C)cc1CNc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine?
The InChIKey is NIMBUTMIGPWPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-6-11(2)15(19-3)12(7-10)8-17-14-5-4-13(16)9-18-14/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of 5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine?
5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-methoxy-3,5-dimethylphenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 115146686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).