4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline

C26H33N3 — CID 101099324

IUPAC4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline
SMILESCC(c1ccc(N(C)C)cc1)c1cc(-c2ccc(N(C)C)cc2)ccc1N(C)C
InChIInChI=1S/C26H33N3/c1-19(20-8-13-23(14-9-20)27(2)3)25-18-22(12-17-26(25)29(6)7)21-10-15-24(16-11-21)28(4)5/h8-19H,1-7H3
InChIKeyMBZZJZFYQZYQSS-UHFFFAOYSA-N
MW387.57 g/mol
LogP5.70
Rot. Bonds6

About 4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline

4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline (PubChem CID 101099324) has the molecular formula C26H33N3 and a molecular weight of 387.57 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline
PubChem CID101099324
Molecular FormulaC26H33N3
Molecular Weight387.57 g/mol
Exact Mass387.27
IUPAC Name4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline
SMILESCC(c1ccc(N(C)C)cc1)c1cc(-c2ccc(N(C)C)cc2)ccc1N(C)C
InChIInChI=1S/C26H33N3/c1-19(20-8-13-23(14-9-20)27(2)3)25-18-22(12-17-26(25)29(6)7)21-10-15-24(16-11-21)28(4)5/h8-19H,1-7H3
InChIKeyMBZZJZFYQZYQSS-UHFFFAOYSA-N
XLogP5.70
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-chlorophenyl)ethyl]-N,N-dimethylaniline
CID 58923332
N,N-dimethyl-4-[4-[1-(methylamino)ethyl]phenyl]aniline
CID 54911733
4-[4-(difluoromethyl)phenyl]-N,N-dimethylaniline
CID 132579488
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-(4-chlorophenyl)-N,N-dimethylaniline
CID 2757476
N,N-dimethyl-4-propan-2-ylaniline;methane
CID 161012849
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
N,N-dimethyl-4-(4-propan-2-yloxyphenyl)aniline
CID 159991714
N,N-dimethyl-4-naphthalen-2-ylaniline
CID 46854357
N,N-dimethyl-4-[1-[4-(methylaminomethyl)phenyl]ethyl]aniline
CID 153497957
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;methylsulfinylmethane
CID 157316165

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline (CID 101099324) is 4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline is CC(c1ccc(N(C)C)cc1)c1cc(-c2ccc(N(C)C)cc2)ccc1N(C)C.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline?
The InChIKey is MBZZJZFYQZYQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3/c1-19(20-8-13-23(14-9-20)27(2)3)25-18-22(12-17-26(25)29(6)7)21-10-15-24(16-11-21)28(4)5/h8-19H,1-7H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline?
4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline has a molecular weight of 387.57 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-2-[1-[4-(dimethylamino)phenyl]ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 101099324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).