3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline

C14H23NO2 — CID 60588106

IUPAC3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline
SMILESCOc1ccc(N(C)CCC(C)C)cc1OC
InChIInChI=1S/C14H23NO2/c1-11(2)8-9-15(3)12-6-7-13(16-4)14(10-12)17-5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyHWCJLLPYLRTATE-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.19
Rot. Bonds6

About 3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline

3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline (PubChem CID 60588106) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline
PubChem CID60588106
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline
SMILESCOc1ccc(N(C)CCC(C)C)cc1OC
InChIInChI=1S/C14H23NO2/c1-11(2)8-9-15(3)12-6-7-13(16-4)14(10-12)17-5/h6-7,10-11H,8-9H2,1-5H3
InChIKeyHWCJLLPYLRTATE-UHFFFAOYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline?
The IUPAC name of 3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline (CID 60588106) is 3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline is COc1ccc(N(C)CCC(C)C)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline?
The InChIKey is HWCJLLPYLRTATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-11(2)8-9-15(3)12-6-7-13(16-4)14(10-12)17-5/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline?
3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline has a molecular weight of 237.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-methyl-N-(3-methylbutyl)aniline is sourced from PubChem (CID 60588106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).