3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine

C14H15BrN2O — CID 105366850

IUPAC3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
SMILESCc1cnc(NCCOc2ccccc2)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-11-9-13(15)14(17-10-11)16-7-8-18-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,16,17)
InChIKeyJHSVMQGNYJESBU-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.64
Rot. Bonds5

About 3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine

3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine (PubChem CID 105366850) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
PubChem CID105366850
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine
SMILESCc1cnc(NCCOc2ccccc2)c(Br)c1
InChIInChI=1S/C14H15BrN2O/c1-11-9-13(15)14(17-10-11)16-7-8-18-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,16,17)
InChIKeyJHSVMQGNYJESBU-UHFFFAOYSA-N
XLogP3.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-N-(3-phenoxypropyl)pyridin-2-amine
CID 113413693
3-bromo-5-methyl-2-(2-phenoxyethoxy)pyridine
CID 105368231
2-[2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 105366900
2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 105367093
N-[3-(2-aminoethoxy)propyl]-3-bromo-5-methylpyridin-2-amine
CID 106308374
3-bromo-N-(3-chloropropyl)-5-methylpyridin-2-amine
CID 105368698
3-bromo-N-[(2-bromophenyl)methyl]-5-methylpyridin-2-amine
CID 105366810
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 102880836
4-bromo-3,5-dimethyl-N-(2-phenoxyethyl)aniline
CID 107573411
N-[3-(2-aminoethoxy)phenyl]-3-bromo-5-methylpyridin-2-amine
CID 105367304
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 105366661

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine (CID 105366850) is 3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine is Cc1cnc(NCCOc2ccccc2)c(Br)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine?
The InChIKey is JHSVMQGNYJESBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-11-9-13(15)14(17-10-11)16-7-8-18-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3,(H,16,17).
What are the key properties of 3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine?
3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine has a molecular weight of 307.19 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(2-phenoxyethyl)pyridin-2-amine is sourced from PubChem (CID 105366850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).