1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol

C11H16FNO — CID 84720909

IUPAC1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol
SMILESCC(O)(CN)CCc1ccccc1F
InChIInChI=1S/C11H16FNO/c1-11(14,8-13)7-6-9-4-2-3-5-10(9)12/h2-5,14H,6-8,13H2,1H3
InChIKeyIVEBXVDHLADHBD-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.47
Rot. Bonds4

About 1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol

1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol (PubChem CID 84720909) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol
PubChem CID84720909
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol
SMILESCC(O)(CN)CCc1ccccc1F
InChIInChI=1S/C11H16FNO/c1-11(14,8-13)7-6-9-4-2-3-5-10(9)12/h2-5,14H,6-8,13H2,1H3
InChIKeyIVEBXVDHLADHBD-UHFFFAOYSA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-fluorophenyl)-2-methylhexan-2-ol
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4-(2-fluorophenyl)butan-2-ol
CID 12618518
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 115157456
N'-[(2-fluorophenyl)methyl]-N',2-dimethyl-2-propylpropane-1,3-diamine
CID 62260499
1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol
CID 114832660
7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one
CID 116574862
1-amino-5-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpentan-2-ol
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N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide
CID 119569414

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol?
The IUPAC name of 1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol (CID 84720909) is 1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol?
The canonical SMILES for 1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol is CC(O)(CN)CCc1ccccc1F.
What is the InChIKey of 1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol?
The InChIKey is IVEBXVDHLADHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(14,8-13)7-6-9-4-2-3-5-10(9)12/h2-5,14H,6-8,13H2,1H3.
What are the key properties of 1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol?
1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol has a molecular weight of 197.25 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2-fluorophenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 84720909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).