1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol

C11H16FNO — CID 82685546

IUPAC1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cc(F)ccc1N
InChIInChI=1S/C11H16FNO/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11,14H,5,13H2,1-2H3
InChIKeyHSRMCVDMQIDILD-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.49
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol

1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol (PubChem CID 82685546) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
PubChem CID82685546
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1cc(F)ccc1N
InChIInChI=1S/C11H16FNO/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11,14H,5,13H2,1-2H3
InChIKeyHSRMCVDMQIDILD-UHFFFAOYSA-N
XLogP2.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.49
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-(2,5-difluorophenyl)-3-methylbutan-1-ol
CID 61100112
1-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 61087910
1-(2-amino-5-fluorophenyl)-2-methoxyethanol
CID 82685227
1-(2,5-difluorophenyl)-3,5-dimethylhexan-1-ol
CID 114200459
1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970
1-(2-amino-4-fluorophenyl)-3-(methylamino)butan-1-ol
CID 105465988
1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
CID 82684547
1-(2-amino-5-fluorophenyl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 82685783
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 82683165
1-(4-fluorophenyl)-3-methylbutan-1-ol
CID 60797473
2-[(1R)-1-amino-2-methylpropyl]-4-fluoroaniline;dihydrochloride
CID 162344478

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol (CID 82685546) is 1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol is CC(C)CC(O)c1cc(F)ccc1N.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol?
The InChIKey is HSRMCVDMQIDILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7(2)5-11(14)9-6-8(12)3-4-10(9)13/h3-4,6-7,11,14H,5,13H2,1-2H3.
What are the key properties of 1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol?
1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 82685546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).