4-(cyclohexylmethoxy)aniline

C13H19NO — CID 15681651

IUPAC4-(cyclohexylmethoxy)aniline
SMILESNc1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C13H19NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10,14H2
InChIKeyDRHKVTPDSILGSR-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.23
Rot. Bonds3

About 4-(cyclohexylmethoxy)aniline

4-(cyclohexylmethoxy)aniline (PubChem CID 15681651) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-(cyclohexylmethoxy)aniline.

Molecular Properties

Compound Name4-(cyclohexylmethoxy)aniline
PubChem CID15681651
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name4-(cyclohexylmethoxy)aniline
SMILESNc1ccc(OCC2CCCCC2)cc1
InChIInChI=1S/C13H19NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10,14H2
InChIKeyDRHKVTPDSILGSR-UHFFFAOYSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethoxy)aniline?
The IUPAC name of 4-(cyclohexylmethoxy)aniline (CID 15681651) is 4-(cyclohexylmethoxy)aniline.
What is the SMILES notation for 4-(cyclohexylmethoxy)aniline?
The canonical SMILES for 4-(cyclohexylmethoxy)aniline is Nc1ccc(OCC2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexylmethoxy)aniline?
The InChIKey is DRHKVTPDSILGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10,14H2.
What are the key properties of 4-(cyclohexylmethoxy)aniline?
4-(cyclohexylmethoxy)aniline has a molecular weight of 205.30 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethoxy)aniline is sourced from PubChem (CID 15681651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).