4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline

C16H25NO — CID 63451354

IUPAC4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
SMILESCCOc1ccc(NC2CCC(C)CC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-4-18-15-9-10-16(13(3)11-15)17-14-7-5-12(2)6-8-14/h9-12,14,17H,4-8H2,1-3H3
InChIKeyUSJKVSVFBGHUFV-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.38
Rot. Bonds4

About 4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline

4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline (PubChem CID 63451354) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
PubChem CID63451354
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline
SMILESCCOc1ccc(NC2CCC(C)CC2)c(C)c1
InChIInChI=1S/C16H25NO/c1-4-18-15-9-10-16(13(3)11-15)17-14-7-5-12(2)6-8-14/h9-12,14,17H,4-8H2,1-3H3
InChIKeyUSJKVSVFBGHUFV-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.38
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 4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline?
The IUPAC name of 4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline (CID 63451354) is 4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline.
What is the SMILES notation for 4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline?
The canonical SMILES for 4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline is CCOc1ccc(NC2CCC(C)CC2)c(C)c1.
What is the InChIKey of 4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline?
The InChIKey is USJKVSVFBGHUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-18-15-9-10-16(13(3)11-15)17-14-7-5-12(2)6-8-14/h9-12,14,17H,4-8H2,1-3H3.
What are the key properties of 4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline?
4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline has a molecular weight of 247.38 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-methyl-N-(4-methylcyclohexyl)aniline is sourced from PubChem (CID 63451354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).