1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol

C15H23FN2O2 — CID 65102598

IUPAC1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol
SMILESCC(C)Oc1cc(NCC2(O)CCCC2)c(N)cc1F
InChIInChI=1S/C15H23FN2O2/c1-10(2)20-14-8-13(12(17)7-11(14)16)18-9-15(19)5-3-4-6-15/h7-8,10,18-19H,3-6,9,17H2,1-2H3
InChIKeyDKILCUBCTOVPBI-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.91
Rot. Bonds5

About 1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol

1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol (PubChem CID 65102598) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol
PubChem CID65102598
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol
SMILESCC(C)Oc1cc(NCC2(O)CCCC2)c(N)cc1F
InChIInChI=1S/C15H23FN2O2/c1-10(2)20-14-8-13(12(17)7-11(14)16)18-9-15(19)5-3-4-6-15/h7-8,10,18-19H,3-6,9,17H2,1-2H3
InChIKeyDKILCUBCTOVPBI-UHFFFAOYSA-N
XLogP2.91
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol (CID 65102598) is 1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol is CC(C)Oc1cc(NCC2(O)CCCC2)c(N)cc1F.
What is the InChIKey of 1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol?
The InChIKey is DKILCUBCTOVPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)20-14-8-13(12(17)7-11(14)16)18-9-15(19)5-3-4-6-15/h7-8,10,18-19H,3-6,9,17H2,1-2H3.
What are the key properties of 1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol?
1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol has a molecular weight of 282.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-fluoro-5-propan-2-yloxyanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65102598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).