[1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol

C14H19F3N2O2 — CID 63591935

IUPAC[1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol
SMILESNc1cc(F)c(OC(F)F)cc1NC1(CO)CCCCC1
InChIInChI=1S/C14H19F3N2O2/c15-9-6-10(18)11(7-12(9)21-13(16)17)19-14(8-20)4-2-1-3-5-14/h6-7,13,19-20H,1-5,8,18H2
InChIKeySWBSXCSHTJCZEC-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.12
Rot. Bonds5

About [1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol

[1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol (PubChem CID 63591935) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is [1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol
PubChem CID63591935
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name[1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol
SMILESNc1cc(F)c(OC(F)F)cc1NC1(CO)CCCCC1
InChIInChI=1S/C14H19F3N2O2/c15-9-6-10(18)11(7-12(9)21-13(16)17)19-14(8-20)4-2-1-3-5-14/h6-7,13,19-20H,1-5,8,18H2
InChIKeySWBSXCSHTJCZEC-UHFFFAOYSA-N
XLogP3.12
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-amino-4-chloro-5-fluoroanilino)cyclopentyl]methanol
CID 66076669
[1-(2-amino-5-fluoro-4-iodoanilino)cyclopentyl]methanol
CID 66100703
[1-(2-amino-5-ethoxy-4-fluoroanilino)-4-methylcyclohexyl]methanol
CID 63594133
2-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-2-ethylpropane-1,3-diol
CID 107864587
[1-(2-amino-5-chloroanilino)cyclohexyl]methanol
CID 115468903
2-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63592047
3-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]propane-1,2-diol
CID 66176537
2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 55215701
1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]-3-ethylpentan-2-ol
CID 106284308
[4-(2-amino-5-chloro-4-fluoroanilino)oxan-4-yl]methanol
CID 114169985
1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol
CID 65102598
4-(difluoromethoxy)-2-N-(2,6-dimethylpiperidin-1-yl)-5-fluorobenzene-1,2-diamine
CID 83003117

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol?
The IUPAC name of [1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol (CID 63591935) is [1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol.
What is the SMILES notation for [1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol?
The canonical SMILES for [1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol is Nc1cc(F)c(OC(F)F)cc1NC1(CO)CCCCC1.
What is the InChIKey of [1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol?
The InChIKey is SWBSXCSHTJCZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-9-6-10(18)11(7-12(9)21-13(16)17)19-14(8-20)4-2-1-3-5-14/h6-7,13,19-20H,1-5,8,18H2.
What are the key properties of [1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol?
[1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol has a molecular weight of 304.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-5-(difluoromethoxy)-4-fluoroanilino]cyclohexyl]methanol is sourced from PubChem (CID 63591935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).