1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol

C10H12FNO — CID 168788223

IUPAC1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol
SMILESCc1cc(N)c(C2(O)CC2)cc1F
InChIInChI=1S/C10H12FNO/c1-6-4-9(12)7(5-8(6)11)10(13)2-3-10/h4-5,13H,2-3,12H2,1H3
InChIKeyVWSXPOVGEWTXBT-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.70
Rot. Bonds1

About 1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol

1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol (PubChem CID 168788223) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol
PubChem CID168788223
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol
SMILESCc1cc(N)c(C2(O)CC2)cc1F
InChIInChI=1S/C10H12FNO/c1-6-4-9(12)7(5-8(6)11)10(13)2-3-10/h4-5,13H,2-3,12H2,1H3
InChIKeyVWSXPOVGEWTXBT-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol (CID 168788223) is 1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol is Cc1cc(N)c(C2(O)CC2)cc1F.
What is the InChIKey of 1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol?
The InChIKey is VWSXPOVGEWTXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6-4-9(12)7(5-8(6)11)10(13)2-3-10/h4-5,13H,2-3,12H2,1H3.
What are the key properties of 1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol?
1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol has a molecular weight of 181.21 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 168788223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).