3-chloro-N-(2,2-diphenylethyl)-2-methylaniline

C21H20ClN — CID 23994385

IUPAC3-chloro-N-(2,2-diphenylethyl)-2-methylaniline
SMILESCc1c(Cl)cccc1NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20ClN/c1-16-20(22)13-8-14-21(16)23-15-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-14,19,23H,15H2,1H3
InChIKeyORKFLINLJUPNGU-UHFFFAOYSA-N
MW321.85 g/mol
LogP5.89
Rot. Bonds5

About 3-chloro-N-(2,2-diphenylethyl)-2-methylaniline

3-chloro-N-(2,2-diphenylethyl)-2-methylaniline (PubChem CID 23994385) has the molecular formula C21H20ClN and a molecular weight of 321.85 g/mol. Its IUPAC name is 3-chloro-N-(2,2-diphenylethyl)-2-methylaniline.

Molecular Properties

Compound Name3-chloro-N-(2,2-diphenylethyl)-2-methylaniline
PubChem CID23994385
Molecular FormulaC21H20ClN
Molecular Weight321.85 g/mol
Exact Mass321.13
IUPAC Name3-chloro-N-(2,2-diphenylethyl)-2-methylaniline
SMILESCc1c(Cl)cccc1NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20ClN/c1-16-20(22)13-8-14-21(16)23-15-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-14,19,23H,15H2,1H3
InChIKeyORKFLINLJUPNGU-UHFFFAOYSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.85
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-chloro-2-methyl-N-prop-2-ynylaniline;hydrochloride
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2-(3-chloro-2-methylanilino)-1-thiophen-2-ylethanol
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2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
CID 82044958
3-(3-chloro-2-methylanilino)-3-oxo-2-phenylpropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-diphenylethyl)-2-methylaniline?
The IUPAC name of 3-chloro-N-(2,2-diphenylethyl)-2-methylaniline (CID 23994385) is 3-chloro-N-(2,2-diphenylethyl)-2-methylaniline.
What is the SMILES notation for 3-chloro-N-(2,2-diphenylethyl)-2-methylaniline?
The canonical SMILES for 3-chloro-N-(2,2-diphenylethyl)-2-methylaniline is Cc1c(Cl)cccc1NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-chloro-N-(2,2-diphenylethyl)-2-methylaniline?
The InChIKey is ORKFLINLJUPNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN/c1-16-20(22)13-8-14-21(16)23-15-19(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-14,19,23H,15H2,1H3.
What are the key properties of 3-chloro-N-(2,2-diphenylethyl)-2-methylaniline?
3-chloro-N-(2,2-diphenylethyl)-2-methylaniline has a molecular weight of 321.85 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-diphenylethyl)-2-methylaniline is sourced from PubChem (CID 23994385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).