4-(4-benzylphenyl)-2-chloroaniline

C19H16ClN — CID 107607804

IUPAC4-(4-benzylphenyl)-2-chloroaniline
SMILESNc1ccc(-c2ccc(Cc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C19H16ClN/c20-18-13-17(10-11-19(18)21)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12,21H2
InChIKeySRRGQXSMLJMCMS-UHFFFAOYSA-N
MW293.80 g/mol
LogP5.18
Rot. Bonds3

About 4-(4-benzylphenyl)-2-chloroaniline

4-(4-benzylphenyl)-2-chloroaniline (PubChem CID 107607804) has the molecular formula C19H16ClN and a molecular weight of 293.80 g/mol. Its IUPAC name is 4-(4-benzylphenyl)-2-chloroaniline.

Molecular Properties

Compound Name4-(4-benzylphenyl)-2-chloroaniline
PubChem CID107607804
Molecular FormulaC19H16ClN
Molecular Weight293.80 g/mol
Exact Mass293.10
IUPAC Name4-(4-benzylphenyl)-2-chloroaniline
SMILESNc1ccc(-c2ccc(Cc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C19H16ClN/c20-18-13-17(10-11-19(18)21)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12,21H2
InChIKeySRRGQXSMLJMCMS-UHFFFAOYSA-N
XLogP5.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.80
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylphenyl)-2-chloroaniline?
The IUPAC name of 4-(4-benzylphenyl)-2-chloroaniline (CID 107607804) is 4-(4-benzylphenyl)-2-chloroaniline.
What is the SMILES notation for 4-(4-benzylphenyl)-2-chloroaniline?
The canonical SMILES for 4-(4-benzylphenyl)-2-chloroaniline is Nc1ccc(-c2ccc(Cc3ccccc3)cc2)cc1Cl.
What is the InChIKey of 4-(4-benzylphenyl)-2-chloroaniline?
The InChIKey is SRRGQXSMLJMCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN/c20-18-13-17(10-11-19(18)21)16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12,21H2.
What are the key properties of 4-(4-benzylphenyl)-2-chloroaniline?
4-(4-benzylphenyl)-2-chloroaniline has a molecular weight of 293.80 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylphenyl)-2-chloroaniline is sourced from PubChem (CID 107607804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).