2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline

C22H23N — CID 22457026

IUPAC2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(CCNc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C22H23N/c1-18-11-13-19(14-12-18)15-16-23-22-10-6-5-9-21(22)17-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3
InChIKeyWXEUUECPKIXXLI-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.24
Rot. Bonds6

About 2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline

2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline (PubChem CID 22457026) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline
PubChem CID22457026
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline
SMILESCc1ccc(CCNc2ccccc2Cc2ccccc2)cc1
InChIInChI=1S/C22H23N/c1-18-11-13-19(14-12-18)15-16-23-22-10-6-5-9-21(22)17-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3
InChIKeyWXEUUECPKIXXLI-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(4-methylphenyl)methyl]-N-phenylaniline
CID 11708854
N-(2-benzylphenyl)-2-(4-methylphenyl)acetamide
CID 9192456
2-benzyl-N-pent-3-ynylaniline
CID 104806026
2-benzyl-N-(3-fluoropropyl)aniline
CID 81106198
2-(ethoxymethyl)-N-(2-phenylethyl)aniline
CID 43750318
2-benzyl-N-(3-methylsulfanylpropyl)aniline
CID 28534154
2-benzyl-N-(3,3,3-trifluoropropyl)aniline
CID 64554179
1-benzyl-4-methylbenzene;toluene
CID 144690555
1-(2-benzylphenyl)-3-(2-phenylethyl)thiourea
CID 2349997
4-(2-benzylanilino)butanenitrile
CID 28578029
(2S)-1-N-(2-benzylphenyl)propane-1,2-diamine
CID 112736608
3-bromo-2-methyl-N-(2-phenylethyl)aniline
CID 107629722

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline?
The IUPAC name of 2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline (CID 22457026) is 2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline.
What is the SMILES notation for 2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline?
The canonical SMILES for 2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline is Cc1ccc(CCNc2ccccc2Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline?
The InChIKey is WXEUUECPKIXXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-18-11-13-19(14-12-18)15-16-23-22-10-6-5-9-21(22)17-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3.
What are the key properties of 2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline?
2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline has a molecular weight of 301.43 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-(4-methylphenyl)ethyl]aniline is sourced from PubChem (CID 22457026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).