N-phenyl-4-(1-phenylethyl)aniline

C20H19N — CID 3017553

IUPACN-phenyl-4-(1-phenylethyl)aniline
SMILESCC(c1ccccc1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C20H19N/c1-16(17-8-4-2-5-9-17)18-12-14-20(15-13-18)21-19-10-6-3-7-11-19/h2-16,21H,1H3
InChIKeyNQVOHIADXFXVKE-UHFFFAOYSA-N
MW273.38 g/mol
LogP5.58
Rot. Bonds4

About N-phenyl-4-(1-phenylethyl)aniline

N-phenyl-4-(1-phenylethyl)aniline (PubChem CID 3017553) has the molecular formula C20H19N and a molecular weight of 273.38 g/mol. Its IUPAC name is N-phenyl-4-(1-phenylethyl)aniline.

Molecular Properties

Compound NameN-phenyl-4-(1-phenylethyl)aniline
PubChem CID3017553
Molecular FormulaC20H19N
Molecular Weight273.38 g/mol
Exact Mass273.15
IUPAC NameN-phenyl-4-(1-phenylethyl)aniline
SMILESCC(c1ccccc1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C20H19N/c1-16(17-8-4-2-5-9-17)18-12-14-20(15-13-18)21-19-10-6-3-7-11-19/h2-16,21H,1H3
InChIKeyNQVOHIADXFXVKE-UHFFFAOYSA-N
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cumene;N-phenylaniline
CID 22645781
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
N-phenyl-2-(1-phenylethyl)aniline
CID 59839557
ethane;methane;1-phenylethylbenzene
CID 143105414
1-N,4-N-bis(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 71359938
diphenylmethanamine;N-phenylaniline
CID 162045655
azane;N-phenylaniline
CID 67074378
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
cumene;ethane;1-phenylethylbenzene
CID 158118082

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(1-phenylethyl)aniline?
The IUPAC name of N-phenyl-4-(1-phenylethyl)aniline (CID 3017553) is N-phenyl-4-(1-phenylethyl)aniline.
What is the SMILES notation for N-phenyl-4-(1-phenylethyl)aniline?
The canonical SMILES for N-phenyl-4-(1-phenylethyl)aniline is CC(c1ccccc1)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-phenyl-4-(1-phenylethyl)aniline?
The InChIKey is NQVOHIADXFXVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N/c1-16(17-8-4-2-5-9-17)18-12-14-20(15-13-18)21-19-10-6-3-7-11-19/h2-16,21H,1H3.
What are the key properties of N-phenyl-4-(1-phenylethyl)aniline?
N-phenyl-4-(1-phenylethyl)aniline has a molecular weight of 273.38 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(1-phenylethyl)aniline is sourced from PubChem (CID 3017553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).