4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline

C16H19NO — CID 20811410

IUPAC4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline
SMILESCOc1ccc(C)cc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C16H19NO/c1-12-5-10-16(18-4)15(11-12)13-6-8-14(9-7-13)17(2)3/h5-11H,1-4H3
InChIKeyUPOLAKZPJOTCLY-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.74
Rot. Bonds3

About 4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline

4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline (PubChem CID 20811410) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline
PubChem CID20811410
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline
SMILESCOc1ccc(C)cc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C16H19NO/c1-12-5-10-16(18-4)15(11-12)13-6-8-14(9-7-13)17(2)3/h5-11H,1-4H3
InChIKeyUPOLAKZPJOTCLY-UHFFFAOYSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline (CID 20811410) is 4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline is COc1ccc(C)cc1-c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline?
The InChIKey is UPOLAKZPJOTCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-12-5-10-16(18-4)15(11-12)13-6-8-14(9-7-13)17(2)3/h5-11H,1-4H3.
What are the key properties of 4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline?
4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline has a molecular weight of 241.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-5-methylphenyl)-N,N-dimethylaniline is sourced from PubChem (CID 20811410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).