4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline

C33H38N2 — CID 57112514

IUPAC4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2ccc(Cc3ccc(-c4ccc(N(CC)CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C33H38N2/c1-5-34(6-2)32-21-17-30(18-22-32)28-13-9-26(10-14-28)25-27-11-15-29(16-12-27)31-19-23-33(24-20-31)35(7-3)8-4/h9-24H,5-8,25H2,1-4H3
InChIKeyJJZZELNTNLQXCU-UHFFFAOYSA-N
MW462.68 g/mol
LogP8.30
Rot. Bonds10

About 4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline

4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline (PubChem CID 57112514) has the molecular formula C33H38N2 and a molecular weight of 462.68 g/mol. Its IUPAC name is 4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
PubChem CID57112514
Molecular FormulaC33H38N2
Molecular Weight462.68 g/mol
Exact Mass462.30
IUPAC Name4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(-c2ccc(Cc3ccc(-c4ccc(N(CC)CC)cc4)cc3)cc2)cc1
InChIInChI=1S/C33H38N2/c1-5-34(6-2)32-21-17-30(18-22-32)28-13-9-26(10-14-28)25-27-11-15-29(16-12-27)31-19-23-33(24-20-31)35(7-3)8-4/h9-24H,5-8,25H2,1-4H3
InChIKeyJJZZELNTNLQXCU-UHFFFAOYSA-N
XLogP8.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-[[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 86063425
N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
CID 59105713
N,N-dibutyl-4-[[4-(dibutylamino)phenyl]methyl]aniline
CID 67427433
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[4-(naphthalen-1-ylmethyl)phenyl]benzene-1,4-diamine
CID 70389248
N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline
CID 59639048
4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)phenyl]-N,N-diethylaniline
CID 101468768
4-(diethylamino)benzenethiol
CID 2758241
N,N-diethyl-4-fluoroaniline
CID 592416

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline?
The IUPAC name of 4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline (CID 57112514) is 4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline?
The canonical SMILES for 4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline is CCN(CC)c1ccc(-c2ccc(Cc3ccc(-c4ccc(N(CC)CC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline?
The InChIKey is JJZZELNTNLQXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2/c1-5-34(6-2)32-21-17-30(18-22-32)28-13-9-26(10-14-28)25-27-11-15-29(16-12-27)31-19-23-33(24-20-31)35(7-3)8-4/h9-24H,5-8,25H2,1-4H3.
What are the key properties of 4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline?
4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline has a molecular weight of 462.68 g/mol, XLogP of 8.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[4-(diethylamino)phenyl]phenyl]methyl]phenyl]-N,N-diethylaniline is sourced from PubChem (CID 57112514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).