3-(cyclohexylmethoxy)-5-methylaniline

C14H21NO — CID 112648470

IUPAC3-(cyclohexylmethoxy)-5-methylaniline
SMILESCc1cc(N)cc(OCC2CCCCC2)c1
InChIInChI=1S/C14H21NO/c1-11-7-13(15)9-14(8-11)16-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10,15H2,1H3
InChIKeyLQDVFELLZSLCMY-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.54
Rot. Bonds3

About 3-(cyclohexylmethoxy)-5-methylaniline

3-(cyclohexylmethoxy)-5-methylaniline (PubChem CID 112648470) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-5-methylaniline.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-5-methylaniline
PubChem CID112648470
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(cyclohexylmethoxy)-5-methylaniline
SMILESCc1cc(N)cc(OCC2CCCCC2)c1
InChIInChI=1S/C14H21NO/c1-11-7-13(15)9-14(8-11)16-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10,15H2,1H3
InChIKeyLQDVFELLZSLCMY-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexylmethoxy)-5-ethoxyaniline
CID 80748419
1-(cyclohexylmethoxy)-3-methyl-5-propoxybenzene
CID 69097440
3-(cyclopentylmethoxy)-5-propoxyaniline
CID 80749152
3-methyl-5-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 112648511
3-[3-(cyclohexylmethoxy)-5-methylphenyl]propan-1-amine
CID 170000630
3-(cyclobutylmethoxy)-5-methylphenol
CID 107679985
3-(cyclopropylmethoxy)-5-methoxyaniline
CID 80748394
4-[(3,5-dimethylphenoxy)methyl]thiane 1,1-dioxide
CID 126561186
3-ethoxy-5-methylaniline
CID 67863452
4-(cyclopentylmethoxy)-2-methylaniline
CID 26190241
3-(cyclohexylmethoxy)-4-methylaniline
CID 43520190
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-5-methylaniline?
The IUPAC name of 3-(cyclohexylmethoxy)-5-methylaniline (CID 112648470) is 3-(cyclohexylmethoxy)-5-methylaniline.
What is the SMILES notation for 3-(cyclohexylmethoxy)-5-methylaniline?
The canonical SMILES for 3-(cyclohexylmethoxy)-5-methylaniline is Cc1cc(N)cc(OCC2CCCCC2)c1.
What is the InChIKey of 3-(cyclohexylmethoxy)-5-methylaniline?
The InChIKey is LQDVFELLZSLCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-7-13(15)9-14(8-11)16-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10,15H2,1H3.
What are the key properties of 3-(cyclohexylmethoxy)-5-methylaniline?
3-(cyclohexylmethoxy)-5-methylaniline has a molecular weight of 219.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-5-methylaniline is sourced from PubChem (CID 112648470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).