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'}

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Related Compounds

4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
4-fluoro-1-N-[(4-fluorophenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63594336
1-N-benzyl-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63591848
1-[(2-amino-5-fluoro-4-iodoanilino)methyl]cyclohexan-1-ol
CID 66101510
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)ethylurea
CID 83116533
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N-cyclopropylacetamide
CID 63594191
4-fluoro-1-N-[(E)-pent-3-enyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 113465312
1-N-(2,2-dimethylcyclopropyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593496
4-fluoro-1-N-(1-methoxypropan-2-yl)-5-propan-2-yloxybenzene-1,2-diamine
CID 55216085
4-fluoro-1-N-[(3-methylphenyl)methyl]-5-propan-2-yloxybenzene-1,2-diamine
CID 63592243
4-fluoro-5-propan-2-yloxy-1-N-(1H-1,2,4-triazol-5-ylmethyl)benzene-1,2-diamine
CID 64545724
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylethanesulfonamide
CID 106334507

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).