4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline

C26H32N2O — CID 2825072

IUPAC4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline
SMILESCOc1cc(C)c(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C26H32N2O/c1-18-17-25(29-7)19(2)16-24(18)26(20-8-12-22(13-9-20)27(3)4)21-10-14-23(15-11-21)28(5)6/h8-17,26H,1-7H3
InChIKeyPNGPWQXGWQKXCB-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.62
Rot. Bonds6

About 4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline

4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline (PubChem CID 2825072) has the molecular formula C26H32N2O and a molecular weight of 388.56 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline
PubChem CID2825072
Molecular FormulaC26H32N2O
Molecular Weight388.56 g/mol
Exact Mass388.25
IUPAC Name4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline
SMILESCOc1cc(C)c(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1C
InChIInChI=1S/C26H32N2O/c1-18-17-25(29-7)19(2)16-24(18)26(20-8-12-22(13-9-20)27(3)4)21-10-14-23(15-11-21)28(5)6/h8-17,26H,1-7H3
InChIKeyPNGPWQXGWQKXCB-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'}

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Related Compounds

1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
4,4'-[(4-Methoxyphenyl)methylene]bis(N,N-dimethylaniline)
CID 348623
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10406366
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-phenylpiperazine
CID 10247330
N-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]-N'-phenylethane-1,2-diamine
CID 10337232
1-Phenyl-4-(3-(1,2,3,4-tetrahydro-7-methoxy-1-naphthalenyl)propyl)piperazine
CID 10406491
1-[3-(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10473986
1-[2-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-ethyl]-4-phenyl-piperazine
CID 10569886
1-[2-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10617865
1-[2-(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10617866
1-[2-(7-Methoxy-3,4-dihydro-naphthalen-2-yl)-ethyl]-4-phenyl-piperazine
CID 10665424

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline (CID 2825072) is 4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline is COc1cc(C)c(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1C.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline?
The InChIKey is PNGPWQXGWQKXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O/c1-18-17-25(29-7)19(2)16-24(18)26(20-8-12-22(13-9-20)27(3)4)21-10-14-23(15-11-21)28(5)6/h8-17,26H,1-7H3.
What are the key properties of 4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline?
4-[[4-(dimethylamino)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline 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)phenyl]-(4-methoxy-2,5-dimethylphenyl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 2825072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).