N-[[2-(2-phenylethyl)phenyl]methyl]aniline

C21H21N — CID 147323955

IUPACN-[[2-(2-phenylethyl)phenyl]methyl]aniline
SMILESc1ccc(CCc2ccccc2CNc2ccccc2)cc1
InChIInChI=1S/C21H21N/c1-3-9-18(10-4-1)15-16-19-11-7-8-12-20(19)17-22-21-13-5-2-6-14-21/h1-14,22H,15-17H2
InChIKeyDAIRMUPZDBARBY-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.08
Rot. Bonds6

About N-[[2-(2-phenylethyl)phenyl]methyl]aniline

N-[[2-(2-phenylethyl)phenyl]methyl]aniline (PubChem CID 147323955) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[[2-(2-phenylethyl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[2-(2-phenylethyl)phenyl]methyl]aniline
PubChem CID147323955
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC NameN-[[2-(2-phenylethyl)phenyl]methyl]aniline
SMILESc1ccc(CCc2ccccc2CNc2ccccc2)cc1
InChIInChI=1S/C21H21N/c1-3-9-18(10-4-1)15-16-19-11-7-8-12-20(19)17-22-21-13-5-2-6-14-21/h1-14,22H,15-17H2
InChIKeyDAIRMUPZDBARBY-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-phenylethyl)phenyl]methyl]aniline?
The IUPAC name of N-[[2-(2-phenylethyl)phenyl]methyl]aniline (CID 147323955) is N-[[2-(2-phenylethyl)phenyl]methyl]aniline.
What is the SMILES notation for N-[[2-(2-phenylethyl)phenyl]methyl]aniline?
The canonical SMILES for N-[[2-(2-phenylethyl)phenyl]methyl]aniline is c1ccc(CCc2ccccc2CNc2ccccc2)cc1.
What is the InChIKey of N-[[2-(2-phenylethyl)phenyl]methyl]aniline?
The InChIKey is DAIRMUPZDBARBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-3-9-18(10-4-1)15-16-19-11-7-8-12-20(19)17-22-21-13-5-2-6-14-21/h1-14,22H,15-17H2.
What are the key properties of N-[[2-(2-phenylethyl)phenyl]methyl]aniline?
N-[[2-(2-phenylethyl)phenyl]methyl]aniline has a molecular weight of 287.41 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-phenylethyl)phenyl]methyl]aniline is sourced from PubChem (CID 147323955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).