5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine

C15H16BrClN2 — CID 79717744

IUPAC5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NC(CCl)Cc1ccccc1
InChIInChI=1S/C15H16BrClN2/c1-11-7-13(16)10-18-15(11)19-14(9-17)8-12-5-3-2-4-6-12/h2-7,10,14H,8-9H2,1H3,(H,18,19)
InChIKeyVXFNLSYZUKXREO-UHFFFAOYSA-N
MW339.66 g/mol
LogP4.41
Rot. Bonds5

About 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine

5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine (PubChem CID 79717744) has the molecular formula C15H16BrClN2 and a molecular weight of 339.66 g/mol. Its IUPAC name is 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine
PubChem CID79717744
Molecular FormulaC15H16BrClN2
Molecular Weight339.66 g/mol
Exact Mass338.02
IUPAC Name5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine
SMILESCc1cc(Br)cnc1NC(CCl)Cc1ccccc1
InChIInChI=1S/C15H16BrClN2/c1-11-7-13(16)10-18-15(11)19-14(9-17)8-12-5-3-2-4-6-12/h2-7,10,14H,8-9H2,1H3,(H,18,19)
InChIKeyVXFNLSYZUKXREO-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.66
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine?
The IUPAC name of 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine (CID 79717744) is 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine is Cc1cc(Br)cnc1NC(CCl)Cc1ccccc1.
What is the InChIKey of 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine?
The InChIKey is VXFNLSYZUKXREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2/c1-11-7-13(16)10-18-15(11)19-14(9-17)8-12-5-3-2-4-6-12/h2-7,10,14H,8-9H2,1H3,(H,18,19).
What are the key properties of 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine?
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine has a molecular weight of 339.66 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-chloro-3-phenylpropan-2-yl)-3-methylpyridin-2-amine is sourced from PubChem (CID 79717744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).