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'}

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

Related Compounds

5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyrimidin-2-amine
CID 65029433
5-bromo-N-(1-chloro-3-phenylpropan-2-yl)pyridin-2-amine
CID 65029483
N-(5-bromo-3-methyl-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 79718048
5-bromo-N-hexan-3-yl-3-methylpyridin-2-amine
CID 79718700
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106186160
N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine
CID 65028967
N-(5-bromo-3-methyl-2-pyridinyl)-2-phenylethanesulfonamide
CID 81422841
(2S)-2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-4-phenylbutanamide
CID 104984747
5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282
N-(1-chloro-3-phenylpropan-2-yl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386410
2-[(5-bromo-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63260770
N-(1-chloro-3-phenylpropan-2-yl)-3-ethyltriazol-4-amine
CID 114223426

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).