1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine

C15H17BrN2 — CID 113455020

IUPAC1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(C)(N)Cc1ccc(Br)cn1
InChIInChI=1S/C15H17BrN2/c1-11-5-3-4-6-14(11)15(2,17)9-13-8-7-12(16)10-18-13/h3-8,10H,9,17H2,1-2H3
InChIKeyMMMHHRHGJUXYES-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.57
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine

1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine (PubChem CID 113455020) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine
PubChem CID113455020
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine
SMILESCc1ccccc1C(C)(N)Cc1ccc(Br)cn1
InChIInChI=1S/C15H17BrN2/c1-11-5-3-4-6-14(11)15(2,17)9-13-8-7-12(16)10-18-13/h3-8,10H,9,17H2,1-2H3
InChIKeyMMMHHRHGJUXYES-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine (CID 113455020) is 1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine is Cc1ccccc1C(C)(N)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine?
The InChIKey is MMMHHRHGJUXYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11-5-3-4-6-14(11)15(2,17)9-13-8-7-12(16)10-18-13/h3-8,10H,9,17H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine?
1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine has a molecular weight of 305.22 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-2-(2-methylphenyl)propan-2-amine is sourced from PubChem (CID 113455020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).