N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline

C32H29ClN2 — CID 158474341

IUPACN-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline
SMILESCc1ccc(-c2ccccc2)cc1N.Cc1ccc(-c2ccccc2)cc1Nc1ccccc1Cl
InChIInChI=1S/C19H16ClN.C13H13N/c1-14-11-12-16(15-7-3-2-4-8-15)13-19(14)21-18-10-6-5-9-17(18)20;1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11/h2-13,21H,1H3;2-9H,14H2,1H3
InChIKeyHGTARDRIJMVAIT-UHFFFAOYSA-N
MW477.05 g/mol
LogP9.30
Rot. Bonds4

About N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline

N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline (PubChem CID 158474341) has the molecular formula C32H29ClN2 and a molecular weight of 477.05 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline
PubChem CID158474341
Molecular FormulaC32H29ClN2
Molecular Weight477.05 g/mol
Exact Mass476.20
IUPAC NameN-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline
SMILESCc1ccc(-c2ccccc2)cc1N.Cc1ccc(-c2ccccc2)cc1Nc1ccccc1Cl
InChIInChI=1S/C19H16ClN.C13H13N/c1-14-11-12-16(15-7-3-2-4-8-15)13-19(14)21-18-10-6-5-9-17(18)20;1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11/h2-13,21H,1H3;2-9H,14H2,1H3
InChIKeyHGTARDRIJMVAIT-UHFFFAOYSA-N
XLogP9.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.05
LogP ≤ 59.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline?
The IUPAC name of N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline (CID 158474341) is N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline.
What is the SMILES notation for N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline?
The canonical SMILES for N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline is Cc1ccc(-c2ccccc2)cc1N.Cc1ccc(-c2ccccc2)cc1Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline?
The InChIKey is HGTARDRIJMVAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN.C13H13N/c1-14-11-12-16(15-7-3-2-4-8-15)13-19(14)21-18-10-6-5-9-17(18)20;1-10-7-8-12(9-13(10)14)11-5-3-2-4-6-11/h2-13,21H,1H3;2-9H,14H2,1H3.
What are the key properties of N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline?
N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline has a molecular weight of 477.05 g/mol, XLogP of 9.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methyl-5-phenylaniline;2-methyl-5-phenylaniline is sourced from PubChem (CID 158474341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).