N-(3,4-dimethylcyclohexyl)-4-methoxyaniline

C15H23NO — CID 64731604

IUPACN-(3,4-dimethylcyclohexyl)-4-methoxyaniline
SMILESCOc1ccc(NC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C15H23NO/c1-11-4-5-14(10-12(11)2)16-13-6-8-15(17-3)9-7-13/h6-9,11-12,14,16H,4-5,10H2,1-3H3
InChIKeyXWEXUIQTYUIDDI-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.93
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-4-methoxyaniline

N-(3,4-dimethylcyclohexyl)-4-methoxyaniline (PubChem CID 64731604) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-4-methoxyaniline.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-4-methoxyaniline
PubChem CID64731604
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(3,4-dimethylcyclohexyl)-4-methoxyaniline
SMILESCOc1ccc(NC2CCC(C)C(C)C2)cc1
InChIInChI=1S/C15H23NO/c1-11-4-5-14(10-12(11)2)16-13-6-8-15(17-3)9-7-13/h6-9,11-12,14,16H,4-5,10H2,1-3H3
InChIKeyXWEXUIQTYUIDDI-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(3,4-dimethylcyclohexyl)-4-methoxyaniline?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-4-methoxyaniline (CID 64731604) is N-(3,4-dimethylcyclohexyl)-4-methoxyaniline.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-4-methoxyaniline?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-4-methoxyaniline is COc1ccc(NC2CCC(C)C(C)C2)cc1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-4-methoxyaniline?
The InChIKey is XWEXUIQTYUIDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-4-5-14(10-12(11)2)16-13-6-8-15(17-3)9-7-13/h6-9,11-12,14,16H,4-5,10H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-4-methoxyaniline?
N-(3,4-dimethylcyclohexyl)-4-methoxyaniline has a molecular weight of 233.36 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-4-methoxyaniline is sourced from PubChem (CID 64731604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).