N-(2-benzylphenyl)-5-bromopyridin-3-amine

C18H15BrN2 — CID 104531485

IUPACN-(2-benzylphenyl)-5-bromopyridin-3-amine
SMILESBrc1cncc(Nc2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C18H15BrN2/c19-16-11-17(13-20-12-16)21-18-9-5-4-8-15(18)10-14-6-2-1-3-7-14/h1-9,11-13,21H,10H2
InChIKeyFYFFTDCVWHNWBY-UHFFFAOYSA-N
MW339.24 g/mol
LogP5.18
Rot. Bonds4

About N-(2-benzylphenyl)-5-bromopyridin-3-amine

N-(2-benzylphenyl)-5-bromopyridin-3-amine (PubChem CID 104531485) has the molecular formula C18H15BrN2 and a molecular weight of 339.24 g/mol. Its IUPAC name is N-(2-benzylphenyl)-5-bromopyridin-3-amine.

Molecular Properties

Compound NameN-(2-benzylphenyl)-5-bromopyridin-3-amine
PubChem CID104531485
Molecular FormulaC18H15BrN2
Molecular Weight339.24 g/mol
Exact Mass338.04
IUPAC NameN-(2-benzylphenyl)-5-bromopyridin-3-amine
SMILESBrc1cncc(Nc2ccccc2Cc2ccccc2)c1
InChIInChI=1S/C18H15BrN2/c19-16-11-17(13-20-12-16)21-18-9-5-4-8-15(18)10-14-6-2-1-3-7-14/h1-9,11-13,21H,10H2
InChIKeyFYFFTDCVWHNWBY-UHFFFAOYSA-N
XLogP5.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.24
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-naphthalen-1-ylpyridin-3-amine
CID 113423538
5-bromo-N-(2-phenylphenyl)pyridin-3-amine
CID 104531475
5-N-(2-ethylphenyl)-3-N-methylpyridine-3,5-diamine
CID 104532392
N-(5-bromo-3-pyridinyl)isoquinolin-8-amine
CID 104531874
5-bromo-N-(3-ethylphenyl)pyridin-3-amine
CID 104531520
5-bromo-N-[2-(difluoromethoxy)phenyl]pyridin-3-amine
CID 104531433
5-bromo-N-(2,5-dibromophenyl)pyridin-3-amine
CID 104531609
N-(2-benzylphenyl)thiohydroxylamine
CID 88608695
5-bromo-N-(phenylmethoxymethyl)pyridin-3-amine
CID 166866277
2-[(4-methylphenyl)methyl]-N-phenylaniline
CID 11708854
N-(3-bromophenyl)-5-(2-ethylanilino)pyridine-3-carboxamide
CID 109243423
5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-5-bromopyridin-3-amine?
The IUPAC name of N-(2-benzylphenyl)-5-bromopyridin-3-amine (CID 104531485) is N-(2-benzylphenyl)-5-bromopyridin-3-amine.
What is the SMILES notation for N-(2-benzylphenyl)-5-bromopyridin-3-amine?
The canonical SMILES for N-(2-benzylphenyl)-5-bromopyridin-3-amine is Brc1cncc(Nc2ccccc2Cc2ccccc2)c1.
What is the InChIKey of N-(2-benzylphenyl)-5-bromopyridin-3-amine?
The InChIKey is FYFFTDCVWHNWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2/c19-16-11-17(13-20-12-16)21-18-9-5-4-8-15(18)10-14-6-2-1-3-7-14/h1-9,11-13,21H,10H2.
What are the key properties of N-(2-benzylphenyl)-5-bromopyridin-3-amine?
N-(2-benzylphenyl)-5-bromopyridin-3-amine has a molecular weight of 339.24 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-5-bromopyridin-3-amine is sourced from PubChem (CID 104531485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).