4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline

C16H25NO2 — CID 43716735

IUPAC4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline
SMILESCOc1cc(C)c(NC2CCCC(C)C2)cc1OC
InChIInChI=1S/C16H25NO2/c1-11-6-5-7-13(8-11)17-14-10-16(19-4)15(18-3)9-12(14)2/h9-11,13,17H,5-8H2,1-4H3
InChIKeyQTTCMZNMOAGAQS-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.00
Rot. Bonds4

About 4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline

4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline (PubChem CID 43716735) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline
PubChem CID43716735
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline
SMILESCOc1cc(C)c(NC2CCCC(C)C2)cc1OC
InChIInChI=1S/C16H25NO2/c1-11-6-5-7-13(8-11)17-14-10-16(19-4)15(18-3)9-12(14)2/h9-11,13,17H,5-8H2,1-4H3
InChIKeyQTTCMZNMOAGAQS-UHFFFAOYSA-N
XLogP4.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline (CID 43716735) is 4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline is COc1cc(C)c(NC2CCCC(C)C2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is QTTCMZNMOAGAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-6-5-7-13(8-11)17-14-10-16(19-4)15(18-3)9-12(14)2/h9-11,13,17H,5-8H2,1-4H3.
What are the key properties of 4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline?
4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 263.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-methyl-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 43716735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).