6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine

C18H15BrN2O — CID 130566009

IUPAC6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
SMILESBrc1cccc(Nc2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C18H15BrN2O/c19-17-10-5-11-18(21-17)20-15-8-4-9-16(12-15)22-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,20,21)
InChIKeyJDFHMQFUWXBRGS-UHFFFAOYSA-N
MW355.24 g/mol
LogP5.17
Rot. Bonds5

About 6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine

6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine (PubChem CID 130566009) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
PubChem CID130566009
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
SMILESBrc1cccc(Nc2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C18H15BrN2O/c19-17-10-5-11-18(21-17)20-15-8-4-9-16(12-15)22-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,20,21)
InChIKeyJDFHMQFUWXBRGS-UHFFFAOYSA-N
XLogP5.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.24
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566029
2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
CID 164645110
6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine
CID 63960879
4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
4-N-(3-methylphenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112901890
N-benzyl-3-phenylmethoxyaniline
CID 54801332
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 90989523
6-fluoro-N-(4-phenylmethoxyphenyl)pyridin-2-amine
CID 130565967
4-N-(3-fluorophenyl)-2-N-(4-phenylmethoxyphenyl)pyrimidine-2,4-diamine
CID 112906273
N-(3-phenylmethoxyphenyl)formamide
CID 87791021
N-tert-butyl-3-phenylmethoxyaniline
CID 58745609

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine (CID 130566009) is 6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine is Brc1cccc(Nc2cccc(OCc3ccccc3)c2)n1.
What is the InChIKey of 6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine?
The InChIKey is JDFHMQFUWXBRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c19-17-10-5-11-18(21-17)20-15-8-4-9-16(12-15)22-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,20,21).
What are the key properties of 6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine?
6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine has a molecular weight of 355.24 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 130566009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).