4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline

C17H21NO — CID 116926119

IUPAC4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline
SMILESCNc1ccc(Cc2ccc(OC)c(C)c2C)cc1
InChIInChI=1S/C17H21NO/c1-12-13(2)17(19-4)10-7-15(12)11-14-5-8-16(18-3)9-6-14/h5-10,18H,11H2,1-4H3
InChIKeyAXZSAKBKASENKO-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.94
Rot. Bonds4

About 4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline

4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline (PubChem CID 116926119) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline
PubChem CID116926119
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline
SMILESCNc1ccc(Cc2ccc(OC)c(C)c2C)cc1
InChIInChI=1S/C17H21NO/c1-12-13(2)17(19-4)10-7-15(12)11-14-5-8-16(18-3)9-6-14/h5-10,18H,11H2,1-4H3
InChIKeyAXZSAKBKASENKO-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methylaniline
CID 116926096
4-[(2-methoxy-5-propan-2-ylphenyl)methyl]-N-methylaniline
CID 116926089
N-methyl-4-[[4-(methylamino)phenyl]methyl]aniline
CID 15735
4-[(2-methoxy-3,4,6-trimethylphenyl)methyl]-N-methylaniline
CID 116926171
ethane;4-methoxy-N,3-dimethylaniline
CID 142876075
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
N'-[(2,4-dimethoxy-3-methylphenyl)methyl]-N-methylmethanediamine
CID 115226861
2-[2-(4-methoxy-2,3-dimethylphenyl)ethylamino]ethanethiol
CID 115224240
methyl 4-(4-methoxy-2,3-dimethylphenyl)butanoate
CID 98784005
4-[[2-(4-methoxy-2,3-dimethylphenyl)acetyl]amino]benzamide
CID 110769674
3-[(4-methoxy-2,3-dimethylphenyl)methylamino]-3-oxopropanoic acid
CID 115163405
4-methoxy-2,3-dimethylaniline
CID 11094809

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline?
The IUPAC name of 4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline (CID 116926119) is 4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline?
The canonical SMILES for 4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline is CNc1ccc(Cc2ccc(OC)c(C)c2C)cc1.
What is the InChIKey of 4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline?
The InChIKey is AXZSAKBKASENKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-13(2)17(19-4)10-7-15(12)11-14-5-8-16(18-3)9-6-14/h5-10,18H,11H2,1-4H3.
What are the key properties of 4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline?
4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline has a molecular weight of 255.36 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 116926119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).