2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol

C13H18F2N2O — CID 64927048

IUPAC2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol
SMILESNc1ccc(F)c(F)c1NCC1CCCCC1O
InChIInChI=1S/C13H18F2N2O/c14-9-5-6-10(16)13(12(9)15)17-7-8-3-1-2-4-11(8)18/h5-6,8,11,17-18H,1-4,7,16H2
InChIKeyPXNQPFQAGTXCGL-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.51
Rot. Bonds3

About 2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol

2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol (PubChem CID 64927048) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol
PubChem CID64927048
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol
SMILESNc1ccc(F)c(F)c1NCC1CCCCC1O
InChIInChI=1S/C13H18F2N2O/c14-9-5-6-10(16)13(12(9)15)17-7-8-3-1-2-4-11(8)18/h5-6,8,11,17-18H,1-4,7,16H2
InChIKeyPXNQPFQAGTXCGL-UHFFFAOYSA-N
XLogP2.51
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol (CID 64927048) is 2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol is Nc1ccc(F)c(F)c1NCC1CCCCC1O.
What is the InChIKey of 2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol?
The InChIKey is PXNQPFQAGTXCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-9-5-6-10(16)13(12(9)15)17-7-8-3-1-2-4-11(8)18/h5-6,8,11,17-18H,1-4,7,16H2.
What are the key properties of 2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol?
2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol has a molecular weight of 256.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2,3-difluoroanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64927048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).