4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline

C16H20N2O — CID 855075

IUPAC4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
SMILESCOc1ccc(NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H20N2O/c1-18(2)15-8-4-13(5-9-15)12-17-14-6-10-16(19-3)11-7-14/h4-11,17H,12H2,1-3H3
InChIKeyRDKKBVHEHXPZQH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.37
Rot. Bonds5

About 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline

4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline (PubChem CID 855075) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
PubChem CID855075
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
SMILESCOc1ccc(NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H20N2O/c1-18(2)15-8-4-13(5-9-15)12-17-14-6-10-16(19-3)11-7-14/h4-11,17H,12H2,1-3H3
InChIKeyRDKKBVHEHXPZQH-UHFFFAOYSA-N
XLogP3.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-N-[(4-ethylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 927227
N-[4-(dimethylamino)phenyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190538
1-N-[(3,4-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 964328
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
1-N-[(2,5-dimethoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39387639
4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol
CID 39371639
N-[(4-cyclopropylphenyl)methyl]-4-methoxyaniline
CID 79979621
4-(4-chlorophenoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 142720853
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 34884368
1-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 39423555
N-[(4-methoxyphenyl)methyl]-3,4-dimethylaniline
CID 775241

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline (CID 855075) is 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline is COc1ccc(NCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline?
The InChIKey is RDKKBVHEHXPZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(2)15-8-4-13(5-9-15)12-17-14-6-10-16(19-3)11-7-14/h4-11,17H,12H2,1-3H3.
What are the key properties of 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline?
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 855075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).