4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol

C14H21FN2O2 — CID 63592146

IUPAC4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol
SMILESCCOc1cc(NC2CCC(O)CC2)c(N)cc1F
InChIInChI=1S/C14H21FN2O2/c1-2-19-14-8-13(12(16)7-11(14)15)17-9-3-5-10(18)6-4-9/h7-10,17-18H,2-6,16H2,1H3
InChIKeyIPIQCSPMMBFASG-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.52
Rot. Bonds4

About 4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol

4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol (PubChem CID 63592146) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol
PubChem CID63592146
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol
SMILESCCOc1cc(NC2CCC(O)CC2)c(N)cc1F
InChIInChI=1S/C14H21FN2O2/c1-2-19-14-8-13(12(16)7-11(14)15)17-9-3-5-10(18)6-4-9/h7-10,17-18H,2-6,16H2,1H3
InChIKeyIPIQCSPMMBFASG-UHFFFAOYSA-N
XLogP2.52
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol?
The IUPAC name of 4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol (CID 63592146) is 4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol is CCOc1cc(NC2CCC(O)CC2)c(N)cc1F.
What is the InChIKey of 4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol?
The InChIKey is IPIQCSPMMBFASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-2-19-14-8-13(12(16)7-11(14)15)17-9-3-5-10(18)6-4-9/h7-10,17-18H,2-6,16H2,1H3.
What are the key properties of 4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol?
4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol has a molecular weight of 268.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-ethoxy-4-fluoroanilino)cyclohexan-1-ol is sourced from PubChem (CID 63592146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).