4-(6-methoxypyren-1-yl)-N,N-dimethylaniline

C25H21NO — CID 177498537

IUPAC4-(6-methoxypyren-1-yl)-N,N-dimethylaniline
SMILESCOc1ccc2ccc3c(-c4ccc(N(C)C)cc4)ccc4ccc1c2c43
InChIInChI=1S/C25H21NO/c1-26(2)19-10-4-16(5-11-19)20-12-6-17-8-14-22-23(27-3)15-9-18-7-13-21(20)24(17)25(18)22/h4-15H,1-3H3
InChIKeyGVTYBPMBIRGRTB-UHFFFAOYSA-N
MW351.45 g/mol
LogP6.33
Rot. Bonds3

About 4-(6-methoxypyren-1-yl)-N,N-dimethylaniline

4-(6-methoxypyren-1-yl)-N,N-dimethylaniline (PubChem CID 177498537) has the molecular formula C25H21NO and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-(6-methoxypyren-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6-methoxypyren-1-yl)-N,N-dimethylaniline
PubChem CID177498537
Molecular FormulaC25H21NO
Molecular Weight351.45 g/mol
Exact Mass351.16
IUPAC Name4-(6-methoxypyren-1-yl)-N,N-dimethylaniline
SMILESCOc1ccc2ccc3c(-c4ccc(N(C)C)cc4)ccc4ccc1c2c43
InChIInChI=1S/C25H21NO/c1-26(2)19-10-4-16(5-11-19)20-12-6-17-8-14-22-23(27-3)15-9-18-7-13-21(20)24(17)25(18)22/h4-15H,1-3H3
InChIKeyGVTYBPMBIRGRTB-UHFFFAOYSA-N
XLogP6.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(6-methoxypyren-1-yl)-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

1,8-bis(6-methoxypyren-1-yl)pyrene
CID 58908186
4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline
CID 173360474
4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-N,N-dimethylaniline
CID 23539019
4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline
CID 20811410
1-phenyl-6-(6-phenylpyren-1-yl)oxypyrene
CID 59557541
1,6-bis[3,5-bis(4-methoxyphenyl)phenyl]pyrene
CID 171600428
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
2-[4-(dimethylamino)phenyl]-7,8-dimethoxychromen-4-one;hydrobromide
CID 66521679
4-(4-methoxy-1-benzothiophen-2-yl)-N,N-dimethylaniline
CID 46947165
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666
2-(4-methylphenyl)hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 58734352

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxypyren-1-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(6-methoxypyren-1-yl)-N,N-dimethylaniline (CID 177498537) is 4-(6-methoxypyren-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6-methoxypyren-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6-methoxypyren-1-yl)-N,N-dimethylaniline is COc1ccc2ccc3c(-c4ccc(N(C)C)cc4)ccc4ccc1c2c43.
What is the InChIKey of 4-(6-methoxypyren-1-yl)-N,N-dimethylaniline?
The InChIKey is GVTYBPMBIRGRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO/c1-26(2)19-10-4-16(5-11-19)20-12-6-17-8-14-22-23(27-3)15-9-18-7-13-21(20)24(17)25(18)22/h4-15H,1-3H3.
What are the key properties of 4-(6-methoxypyren-1-yl)-N,N-dimethylaniline?
4-(6-methoxypyren-1-yl)-N,N-dimethylaniline has a molecular weight of 351.45 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxypyren-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 177498537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).