3-(2-amino-4-fluorophenyl)pentan-3-ol

C11H16FNO — CID 21072832

IUPAC3-(2-amino-4-fluorophenyl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc(F)cc1N
InChIInChI=1S/C11H16FNO/c1-3-11(14,4-2)9-6-5-8(12)7-10(9)13/h5-7,14H,3-4,13H2,1-2H3
InChIKeyIUDSQIBDNALICX-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.42
Rot. Bonds3

About 3-(2-amino-4-fluorophenyl)pentan-3-ol

3-(2-amino-4-fluorophenyl)pentan-3-ol (PubChem CID 21072832) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-(2-amino-4-fluorophenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(2-amino-4-fluorophenyl)pentan-3-ol
PubChem CID21072832
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-(2-amino-4-fluorophenyl)pentan-3-ol
SMILESCCC(O)(CC)c1ccc(F)cc1N
InChIInChI=1S/C11H16FNO/c1-3-11(14,4-2)9-6-5-8(12)7-10(9)13/h5-7,14H,3-4,13H2,1-2H3
InChIKeyIUDSQIBDNALICX-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
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

2-Aminobenzyl alcohol
CID 21439
2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
1-(2-Amino-3-methylphenyl)ethan-1-ol
CID 102330434
2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 320085
2-Aminobenzhydrol
CID 270810
1-(2-Aminophenyl)-1,2-diphenylethanol
CID 2803358
2-(4-Aminophenyl)propan-2-ol
CID 9543261
2-Amino-alpha-methylbenzenemethanol
CID 112058
2-Amino-5-methylbenzyl alcohol
CID 576450
(3-Amino-2-methylphenyl)methanol
CID 577175
2-Amino-3-methylbenzyl alcohol
CID 577176
(2-Amino-4-fluorophenyl)methanol
CID 12737325

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-fluorophenyl)pentan-3-ol?
The IUPAC name of 3-(2-amino-4-fluorophenyl)pentan-3-ol (CID 21072832) is 3-(2-amino-4-fluorophenyl)pentan-3-ol.
What is the SMILES notation for 3-(2-amino-4-fluorophenyl)pentan-3-ol?
The canonical SMILES for 3-(2-amino-4-fluorophenyl)pentan-3-ol is CCC(O)(CC)c1ccc(F)cc1N.
What is the InChIKey of 3-(2-amino-4-fluorophenyl)pentan-3-ol?
The InChIKey is IUDSQIBDNALICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-11(14,4-2)9-6-5-8(12)7-10(9)13/h5-7,14H,3-4,13H2,1-2H3.
What are the key properties of 3-(2-amino-4-fluorophenyl)pentan-3-ol?
3-(2-amino-4-fluorophenyl)pentan-3-ol has a molecular weight of 197.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-fluorophenyl)pentan-3-ol is sourced from PubChem (CID 21072832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).