4-(1,1-diphenylethyl)-N,N-diethylaniline

C24H27N — CID 139052612

IUPAC4-(1,1-diphenylethyl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27N/c1-4-25(5-2)23-18-16-22(17-19-23)24(3,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19H,4-5H2,1-3H3
InChIKeyZSDJZGUPLYMCJM-UHFFFAOYSA-N
MW329.49 g/mol
LogP5.89
Rot. Bonds6

About 4-(1,1-diphenylethyl)-N,N-diethylaniline

4-(1,1-diphenylethyl)-N,N-diethylaniline (PubChem CID 139052612) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-(1,1-diphenylethyl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(1,1-diphenylethyl)-N,N-diethylaniline
PubChem CID139052612
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name4-(1,1-diphenylethyl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(C)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27N/c1-4-25(5-2)23-18-16-22(17-19-23)24(3,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19H,4-5H2,1-3H3
InChIKeyZSDJZGUPLYMCJM-UHFFFAOYSA-N
XLogP5.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 55.89
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

4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline
CID 59366408
4-tert-butyl-N,N-diethylaniline
CID 10632068
N,N-diethylaniline
CID 7061
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethylaniline;hydrazine
CID 161037544
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
(2R)-2-[4-(diethylamino)phenyl]pentan-2-ol
CID 97294292
CID 161146216
CID 161146216
dichloromethane;N,N-diethylaniline
CID 157472052
3-(N-ethyl-4-fluoroanilino)-2-methyl-2-phenylpropanal
CID 62278320
4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol
CID 174631371
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-diphenylethyl)-N,N-diethylaniline?
The IUPAC name of 4-(1,1-diphenylethyl)-N,N-diethylaniline (CID 139052612) is 4-(1,1-diphenylethyl)-N,N-diethylaniline.
What is the SMILES notation for 4-(1,1-diphenylethyl)-N,N-diethylaniline?
The canonical SMILES for 4-(1,1-diphenylethyl)-N,N-diethylaniline is CCN(CC)c1ccc(C(C)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(1,1-diphenylethyl)-N,N-diethylaniline?
The InChIKey is ZSDJZGUPLYMCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-4-25(5-2)23-18-16-22(17-19-23)24(3,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-19H,4-5H2,1-3H3.
What are the key properties of 4-(1,1-diphenylethyl)-N,N-diethylaniline?
4-(1,1-diphenylethyl)-N,N-diethylaniline has a molecular weight of 329.49 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-diphenylethyl)-N,N-diethylaniline is sourced from PubChem (CID 139052612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).