4-methyl-3-(4-methylcyclohexyl)oxyaniline

C14H21NO — CID 64749048

IUPAC4-methyl-3-(4-methylcyclohexyl)oxyaniline
SMILESCc1ccc(N)cc1OC1CCC(C)CC1
InChIInChI=1S/C14H21NO/c1-10-3-7-13(8-4-10)16-14-9-12(15)6-5-11(14)2/h5-6,9-10,13H,3-4,7-8,15H2,1-2H3
InChIKeyCLFRLIMARPXFNS-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.53
Rot. Bonds2

About 4-methyl-3-(4-methylcyclohexyl)oxyaniline

4-methyl-3-(4-methylcyclohexyl)oxyaniline (PubChem CID 64749048) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-methyl-3-(4-methylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name4-methyl-3-(4-methylcyclohexyl)oxyaniline
PubChem CID64749048
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-methyl-3-(4-methylcyclohexyl)oxyaniline
SMILESCc1ccc(N)cc1OC1CCC(C)CC1
InChIInChI=1S/C14H21NO/c1-10-3-7-13(8-4-10)16-14-9-12(15)6-5-11(14)2/h5-6,9-10,13H,3-4,7-8,15H2,1-2H3
InChIKeyCLFRLIMARPXFNS-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylcyclohexyl)oxyaniline?
The IUPAC name of 4-methyl-3-(4-methylcyclohexyl)oxyaniline (CID 64749048) is 4-methyl-3-(4-methylcyclohexyl)oxyaniline.
What is the SMILES notation for 4-methyl-3-(4-methylcyclohexyl)oxyaniline?
The canonical SMILES for 4-methyl-3-(4-methylcyclohexyl)oxyaniline is Cc1ccc(N)cc1OC1CCC(C)CC1.
What is the InChIKey of 4-methyl-3-(4-methylcyclohexyl)oxyaniline?
The InChIKey is CLFRLIMARPXFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-3-7-13(8-4-10)16-14-9-12(15)6-5-11(14)2/h5-6,9-10,13H,3-4,7-8,15H2,1-2H3.
What are the key properties of 4-methyl-3-(4-methylcyclohexyl)oxyaniline?
4-methyl-3-(4-methylcyclohexyl)oxyaniline has a molecular weight of 219.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylcyclohexyl)oxyaniline is sourced from PubChem (CID 64749048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).