(4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium

C15H17ClN+ — CID 8898295

IUPAC(4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH2+]Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN/c1-12-4-2-3-5-14(12)11-17-10-13-6-8-15(16)9-7-13/h2-9,17H,10-11H2,1H3/p+1
InChIKeyVCNMLCVESFKMHB-UHFFFAOYSA-O
MW246.76 g/mol
LogP2.91
Rot. Bonds4

About (4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium

(4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium (PubChem CID 8898295) has the molecular formula C15H17ClN+ and a molecular weight of 246.76 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium
PubChem CID8898295
Molecular FormulaC15H17ClN+
Molecular Weight246.76 g/mol
Exact Mass246.10
IUPAC Name(4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium
SMILESCc1ccccc1C[NH2+]Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN/c1-12-4-2-3-5-14(12)11-17-10-13-6-8-15(16)9-7-13/h2-9,17H,10-11H2,1H3/p+1
InChIKeyVCNMLCVESFKMHB-UHFFFAOYSA-O
XLogP2.91
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.76
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium?
The IUPAC name of (4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium (CID 8898295) is (4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium.
What is the SMILES notation for (4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium?
The canonical SMILES for (4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium is Cc1ccccc1C[NH2+]Cc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium?
The InChIKey is VCNMLCVESFKMHB-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16ClN/c1-12-4-2-3-5-14(12)11-17-10-13-6-8-15(16)9-7-13/h2-9,17H,10-11H2,1H3/p+1.
What are the key properties of (4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium?
(4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium has a molecular weight of 246.76 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-[(2-methylphenyl)methyl]azanium is sourced from PubChem (CID 8898295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).