3-(1,1-diphenylethyl)-N,N-dimethylaniline

C22H23N — CID 91281199

IUPAC3-(1,1-diphenylethyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(C)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H23N/c1-22(18-11-6-4-7-12-18,19-13-8-5-9-14-19)20-15-10-16-21(17-20)23(2)3/h4-17H,1-3H3
InChIKeyAYMDQZNHJRZROI-UHFFFAOYSA-N
MW301.43 g/mol
LogP5.11
Rot. Bonds4

About 3-(1,1-diphenylethyl)-N,N-dimethylaniline

3-(1,1-diphenylethyl)-N,N-dimethylaniline (PubChem CID 91281199) has the molecular formula C22H23N and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-(1,1-diphenylethyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(1,1-diphenylethyl)-N,N-dimethylaniline
PubChem CID91281199
Molecular FormulaC22H23N
Molecular Weight301.43 g/mol
Exact Mass301.18
IUPAC Name3-(1,1-diphenylethyl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(C)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C22H23N/c1-22(18-11-6-4-7-12-18,19-13-8-5-9-14-19)20-15-10-16-21(17-20)23(2)3/h4-17H,1-3H3
InChIKeyAYMDQZNHJRZROI-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.43
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
[[3-(dimethylamino)phenyl]-diphenylmethyl] acetate
CID 45257419
N,N-dimethylaniline
CID 70392672
N,N-diphenyl-3-[2-[3-(N-phenylanilino)phenyl]propan-2-yl]aniline
CID 122463724
CID 69241188
CID 69241188
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
N,N-dimethylaniline;osmium(4+)
CID 172845967
N,N-dimethyl-3-phenylsulfanylaniline
CID 22761235
N,N-dimethylaniline;methanol
CID 143205399

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-diphenylethyl)-N,N-dimethylaniline?
The IUPAC name of 3-(1,1-diphenylethyl)-N,N-dimethylaniline (CID 91281199) is 3-(1,1-diphenylethyl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(1,1-diphenylethyl)-N,N-dimethylaniline?
The canonical SMILES for 3-(1,1-diphenylethyl)-N,N-dimethylaniline is CN(C)c1cccc(C(C)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-(1,1-diphenylethyl)-N,N-dimethylaniline?
The InChIKey is AYMDQZNHJRZROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N/c1-22(18-11-6-4-7-12-18,19-13-8-5-9-14-19)20-15-10-16-21(17-20)23(2)3/h4-17H,1-3H3.
What are the key properties of 3-(1,1-diphenylethyl)-N,N-dimethylaniline?
3-(1,1-diphenylethyl)-N,N-dimethylaniline has a molecular weight of 301.43 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-diphenylethyl)-N,N-dimethylaniline is sourced from PubChem (CID 91281199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).