4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline

C26H32N2O — CID 54484016

IUPAC4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline
SMILESCOc1ccc(C(c2ccc(N(C)C)cc2C)c2ccc(N(C)C)cc2C)cc1
InChIInChI=1S/C26H32N2O/c1-18-16-21(27(3)4)10-14-24(18)26(20-8-12-23(29-7)13-9-20)25-15-11-22(28(5)6)17-19(25)2/h8-17,26H,1-7H3
InChIKeyXRADMZUXENSHOA-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.62
Rot. Bonds6

About 4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline

4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline (PubChem CID 54484016) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline
PubChem CID54484016
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline
SMILESCOc1ccc(C(c2ccc(N(C)C)cc2C)c2ccc(N(C)C)cc2C)cc1
InChIInChI=1S/C26H32N2O/c1-18-16-21(27(3)4)10-14-24(18)26(20-8-12-23(29-7)13-9-20)25-15-11-22(28(5)6)17-19(25)2/h8-17,26H,1-7H3
InChIKeyXRADMZUXENSHOA-UHFFFAOYSA-N
XLogP5.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline 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-(4-methoxyphenoxy)-N,N,3-trimethylaniline
CID 156755643
6-methoxy-N,N-dimethylnaphthalen-2-amine
CID 117043645
4-[[4-(dimethylamino)-2-methylphenyl]-thiophen-2-ylmethyl]-N,N,3-trimethylaniline
CID 54224037
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579
3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
CID 110455032
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
2-[4-(dimethylamino)phenyl]-2-hydroxy-1-(4-methoxyphenyl)ethanone
CID 23319775
(2,5-dimethoxyphenyl)-[4-(dimethylamino)phenyl]methanol
CID 63895776
4-[amino-(2-methoxy-3,4-dimethylphenyl)methyl]-N,N-dimethylaniline
CID 103435266
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192
1-(4-methoxyphenyl)-1,2,2-trimethylhydrazine
CID 130402433
4-[[[4-(diethylamino)-2-methylphenyl]-[4-(dimethylamino)phenyl]methoxy]-[4-(dimethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
CID 18998141

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline (CID 54484016) is 4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline is COc1ccc(C(c2ccc(N(C)C)cc2C)c2ccc(N(C)C)cc2C)cc1.
What is the InChIKey of 4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline?
The InChIKey is XRADMZUXENSHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-18-16-21(27(3)4)10-14-24(18)26(20-8-12-23(29-7)13-9-20)25-15-11-22(28(5)6)17-19(25)2/h8-17,26H,1-7H3.
What are the key properties of 4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline?
4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline has a molecular weight of 388.56 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)-2-methylphenyl]-(4-methoxyphenyl)methyl]-N,N,3-trimethylaniline is sourced from PubChem (CID 54484016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).