1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol

C12H16FNO — CID 170145869

IUPAC1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol
SMILESCC(C)c1cc(N)cc(C2(O)CC2)c1F
InChIInChI=1S/C12H16FNO/c1-7(2)9-5-8(14)6-10(11(9)13)12(15)3-4-12/h5-7,15H,3-4,14H2,1-2H3
InChIKeyJIMBWLAKJFORPD-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.51
Rot. Bonds2

About 1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol

1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol (PubChem CID 170145869) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol
PubChem CID170145869
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol
SMILESCC(C)c1cc(N)cc(C2(O)CC2)c1F
InChIInChI=1S/C12H16FNO/c1-7(2)9-5-8(14)6-10(11(9)13)12(15)3-4-12/h5-7,15H,3-4,14H2,1-2H3
InChIKeyJIMBWLAKJFORPD-UHFFFAOYSA-N
XLogP2.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2-methyl-5-propan-2-ylphenyl)cyclopropan-1-ol
CID 117297836
1-(5-bromo-2-propan-2-ylphenyl)cyclopropan-1-ol
CID 84804882
1-(2-amino-5-fluoro-4-methylphenyl)cyclopropan-1-ol
CID 168788223
4-fluoro-3-propan-2-ylaniline
CID 45090554
1-(2,5-difluoro-4-methylsulfanylphenyl)cyclopropan-1-ol
CID 117308101
4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline
CID 3086039
4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
[4-amino-2,6-di(propan-2-yl)phenyl] dihydrogen phosphate
CID 139198056
1-(2-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 81477688
bis(4-amino-2,6-di(propan-2-yl)phenol);sulfuric acid
CID 45074858
1-[5-propan-2-yl-2-(propan-2-ylamino)phenyl]cyclopropan-1-ol
CID 174278724
1-[3-(1-fluoroethyl)-2-methoxyphenyl]cyclopropan-1-ol
CID 117300377

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol (CID 170145869) is 1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol is CC(C)c1cc(N)cc(C2(O)CC2)c1F.
What is the InChIKey of 1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol?
The InChIKey is JIMBWLAKJFORPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-7(2)9-5-8(14)6-10(11(9)13)12(15)3-4-12/h5-7,15H,3-4,14H2,1-2H3.
What are the key properties of 1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol?
1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol has a molecular weight of 209.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-fluoro-3-propan-2-ylphenyl)cyclopropan-1-ol is sourced from PubChem (CID 170145869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).