3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline

C15H23NO — CID 64501091

IUPAC3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline
SMILESCOc1c(C)ccc(NC2CCC(C)C2)c1C
InChIInChI=1S/C15H23NO/c1-10-5-7-13(9-10)16-14-8-6-11(2)15(17-4)12(14)3/h6,8,10,13,16H,5,7,9H2,1-4H3
InChIKeyMDLZABPSIDQJRE-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.91
Rot. Bonds3

About 3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline

3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline (PubChem CID 64501091) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline.

Molecular Properties

Compound Name3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline
PubChem CID64501091
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline
SMILESCOc1c(C)ccc(NC2CCC(C)C2)c1C
InChIInChI=1S/C15H23NO/c1-10-5-7-13(9-10)16-14-8-6-11(2)15(17-4)12(14)3/h6,8,10,13,16H,5,7,9H2,1-4H3
InChIKeyMDLZABPSIDQJRE-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline?
The IUPAC name of 3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline (CID 64501091) is 3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline.
What is the SMILES notation for 3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline?
The canonical SMILES for 3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline is COc1c(C)ccc(NC2CCC(C)C2)c1C.
What is the InChIKey of 3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline?
The InChIKey is MDLZABPSIDQJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-5-7-13(9-10)16-14-8-6-11(2)15(17-4)12(14)3/h6,8,10,13,16H,5,7,9H2,1-4H3.
What are the key properties of 3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline?
3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline has a molecular weight of 233.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,4-dimethyl-N-(3-methylcyclopentyl)aniline is sourced from PubChem (CID 64501091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).