4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline

C15H23NO — CID 64500477

IUPAC4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline
SMILESCCOc1ccc(NC2CCC(C)C2)c(C)c1
InChIInChI=1S/C15H23NO/c1-4-17-14-7-8-15(12(3)10-14)16-13-6-5-11(2)9-13/h7-8,10-11,13,16H,4-6,9H2,1-3H3
InChIKeyLEEDMHOJMHPFPT-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.99
Rot. Bonds4

About 4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline

4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline (PubChem CID 64500477) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline.

Molecular Properties

Compound Name4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline
PubChem CID64500477
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline
SMILESCCOc1ccc(NC2CCC(C)C2)c(C)c1
InChIInChI=1S/C15H23NO/c1-4-17-14-7-8-15(12(3)10-14)16-13-6-5-11(2)9-13/h7-8,10-11,13,16H,4-6,9H2,1-3H3
InChIKeyLEEDMHOJMHPFPT-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.99
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-(3-methylcyclopentyl)aniline?
The IUPAC name of 4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline (CID 64500477) is 4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline.
What is the SMILES notation for 4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline?
The canonical SMILES for 4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline is CCOc1ccc(NC2CCC(C)C2)c(C)c1.
What is the InChIKey of 4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline?
The InChIKey is LEEDMHOJMHPFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-17-14-7-8-15(12(3)10-14)16-13-6-5-11(2)9-13/h7-8,10-11,13,16H,4-6,9H2,1-3H3.
What are the key properties of 4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline?
4-ethoxy-2-methyl-N-(3-methylcyclopentyl)aniline has a molecular weight of 233.35 g/mol, XLogP of 3.99, 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-(3-methylcyclopentyl)aniline is sourced from PubChem (CID 64500477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).