2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol

C13H19FN2O — CID 64927253

IUPAC2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol
SMILESNc1cc(F)ccc1NCC1CCCCC1O
InChIInChI=1S/C13H19FN2O/c14-10-5-6-12(11(15)7-10)16-8-9-3-1-2-4-13(9)17/h5-7,9,13,16-17H,1-4,8,15H2
InChIKeyYDMGYVSSILCDII-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.37
Rot. Bonds3

About 2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol

2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol (PubChem CID 64927253) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol
PubChem CID64927253
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol
SMILESNc1cc(F)ccc1NCC1CCCCC1O
InChIInChI=1S/C13H19FN2O/c14-10-5-6-12(11(15)7-10)16-8-9-3-1-2-4-13(9)17/h5-7,9,13,16-17H,1-4,8,15H2
InChIKeyYDMGYVSSILCDII-UHFFFAOYSA-N
XLogP2.37
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.37
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-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol (CID 64927253) is 2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol is Nc1cc(F)ccc1NCC1CCCCC1O.
What is the InChIKey of 2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol?
The InChIKey is YDMGYVSSILCDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-10-5-6-12(11(15)7-10)16-8-9-3-1-2-4-13(9)17/h5-7,9,13,16-17H,1-4,8,15H2.
What are the key properties of 2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol?
2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-fluoroanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64927253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).