4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline

C16H20N2O — CID 115212693

IUPAC4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
SMILESCNc1ccc(CN(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H20N2O/c1-17-14-6-4-13(5-7-14)12-18(2)15-8-10-16(19-3)11-9-15/h4-11,17H,12H2,1-3H3
InChIKeyGZPVMUYQRWEFLS-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.37
Rot. Bonds5

About 4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline

4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline (PubChem CID 115212693) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
PubChem CID115212693
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline
SMILESCNc1ccc(CN(C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H20N2O/c1-17-14-6-4-13(5-7-14)12-18(2)15-8-10-16(19-3)11-9-15/h4-11,17H,12H2,1-3H3
InChIKeyGZPVMUYQRWEFLS-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'}

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Related Compounds

4-[(4-chloro-N-methylanilino)methyl]-N-methylaniline
CID 115212691
4-[(4-fluoro-N-methylanilino)methyl]-N-methylaniline
CID 115212690
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
4-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 62464462
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978512
6-[(4-methoxy-N-methylanilino)methyl]-N-methylpyridin-2-amine
CID 79243198
5-[(4-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62003414
4-methoxy-N-methyl-N-[[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]methyl]aniline
CID 171831830
6-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridin-3-amine
CID 115486915
4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
CID 855075

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline?
The IUPAC name of 4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline (CID 115212693) is 4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline.
What is the SMILES notation for 4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline?
The canonical SMILES for 4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline is CNc1ccc(CN(C)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline?
The InChIKey is GZPVMUYQRWEFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-17-14-6-4-13(5-7-14)12-18(2)15-8-10-16(19-3)11-9-15/h4-11,17H,12H2,1-3H3.
What are the key properties of 4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline?
4-[(4-methoxy-N-methylanilino)methyl]-N-methylaniline 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-methoxy-N-methylanilino)methyl]-N-methylaniline is sourced from PubChem (CID 115212693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).