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

C14H15BrN2 — CID 114051454

IUPAC2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine
SMILESCc1ccc(C)c(CNc2cccnc2Br)c1
InChIInChI=1S/C14H15BrN2/c1-10-5-6-11(2)12(8-10)9-17-13-4-3-7-16-14(13)15/h3-8,17H,9H2,1-2H3
InChIKeyFFYMPALCCZESBY-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.07
Rot. Bonds3

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

2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine (PubChem CID 114051454) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine
PubChem CID114051454
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine
SMILESCc1ccc(C)c(CNc2cccnc2Br)c1
InChIInChI=1S/C14H15BrN2/c1-10-5-6-11(2)12(8-10)9-17-13-4-3-7-16-14(13)15/h3-8,17H,9H2,1-2H3
InChIKeyFFYMPALCCZESBY-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine?
The IUPAC name of 2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine (CID 114051454) is 2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine is Cc1ccc(C)c(CNc2cccnc2Br)c1.
What is the InChIKey of 2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine?
The InChIKey is FFYMPALCCZESBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-5-6-11(2)12(8-10)9-17-13-4-3-7-16-14(13)15/h3-8,17H,9H2,1-2H3.
What are the key properties of 2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine?
2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine has a molecular weight of 291.19 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2,5-dimethylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 114051454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).