2-(cyclohexylmethoxy)-3,4-difluoroaniline

C13H17F2NO — CID 62531491

IUPAC2-(cyclohexylmethoxy)-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1OCC1CCCCC1
InChIInChI=1S/C13H17F2NO/c14-10-6-7-11(16)13(12(10)15)17-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,16H2
InChIKeyRPMLYVSJWYDUGX-UHFFFAOYSA-N
MW241.28 g/mol
LogP3.51
Rot. Bonds3

About 2-(cyclohexylmethoxy)-3,4-difluoroaniline

2-(cyclohexylmethoxy)-3,4-difluoroaniline (PubChem CID 62531491) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-3,4-difluoroaniline.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-3,4-difluoroaniline
PubChem CID62531491
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-(cyclohexylmethoxy)-3,4-difluoroaniline
SMILESNc1ccc(F)c(F)c1OCC1CCCCC1
InChIInChI=1S/C13H17F2NO/c14-10-6-7-11(16)13(12(10)15)17-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,16H2
InChIKeyRPMLYVSJWYDUGX-UHFFFAOYSA-N
XLogP3.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 53.51
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 2-(cyclohexylmethoxy)-3,4-difluoroaniline?
The IUPAC name of 2-(cyclohexylmethoxy)-3,4-difluoroaniline (CID 62531491) is 2-(cyclohexylmethoxy)-3,4-difluoroaniline.
What is the SMILES notation for 2-(cyclohexylmethoxy)-3,4-difluoroaniline?
The canonical SMILES for 2-(cyclohexylmethoxy)-3,4-difluoroaniline is Nc1ccc(F)c(F)c1OCC1CCCCC1.
What is the InChIKey of 2-(cyclohexylmethoxy)-3,4-difluoroaniline?
The InChIKey is RPMLYVSJWYDUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-10-6-7-11(16)13(12(10)15)17-8-9-4-2-1-3-5-9/h6-7,9H,1-5,8,16H2.
What are the key properties of 2-(cyclohexylmethoxy)-3,4-difluoroaniline?
2-(cyclohexylmethoxy)-3,4-difluoroaniline has a molecular weight of 241.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-3,4-difluoroaniline is sourced from PubChem (CID 62531491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).