5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine

C15H17BrN2O — CID 115146811

IUPAC5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
SMILESCOc1ccc(CCNc2ccc(Br)cn2)cc1C
InChIInChI=1S/C15H17BrN2O/c1-11-9-12(3-5-14(11)19-2)7-8-17-15-6-4-13(16)10-18-15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyGZAWZBFVTXJOBY-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.82
Rot. Bonds5

About 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine

5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine (PubChem CID 115146811) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
PubChem CID115146811
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine
SMILESCOc1ccc(CCNc2ccc(Br)cn2)cc1C
InChIInChI=1S/C15H17BrN2O/c1-11-9-12(3-5-14(11)19-2)7-8-17-15-6-4-13(16)10-18-15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKeyGZAWZBFVTXJOBY-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 115146650
5-bromo-N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146824
5-ethyl-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyrimidin-2-amine
CID 59643398
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-2-amine
CID 63874532
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055041
5-bromo-N-[2-(2,4-dimethylphenyl)ethyl]pyridin-2-amine
CID 115146816
5-bromo-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 60904047
N-[2-(4-methoxy-3-methylphenyl)ethyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 58338058
5-bromo-N-[(2,4,6-trimethoxyphenyl)methyl]pyridin-2-amine
CID 86054296
N-(5-bromo-2-pyridinyl)-2-(3,4-dimethylphenyl)acetamide
CID 60655374
ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate
CID 113013912
5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444684

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine (CID 115146811) is 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine is COc1ccc(CCNc2ccc(Br)cn2)cc1C.
What is the InChIKey of 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine?
The InChIKey is GZAWZBFVTXJOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-11-9-12(3-5-14(11)19-2)7-8-17-15-6-4-13(16)10-18-15/h3-6,9-10H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine?
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine has a molecular weight of 321.22 g/mol, XLogP of 3.82, 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-(4-methoxy-3-methylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 115146811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).