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

C11H16FNO — CID 66089558

IUPAC4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(CN)(CCO)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-11(8-13,6-7-14)9-4-2-3-5-10(9)12/h2-5,14H,6-8,13H2,1H3
InChIKeyRYYTYSMAWQPTQH-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.42
Rot. Bonds4

About 4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol

4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol (PubChem CID 66089558) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol
PubChem CID66089558
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol
SMILESCC(CN)(CCO)c1ccccc1F
InChIInChI=1S/C11H16FNO/c1-11(8-13,6-7-14)9-4-2-3-5-10(9)12/h2-5,14H,6-8,13H2,1H3
InChIKeyRYYTYSMAWQPTQH-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90016000
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(2R)-2-(2-fluorophenyl)-2-methoxypropan-1-amine
CID 96681773
3-amino-2-methyl-2-(2-methylphenyl)propan-1-ol
CID 82280721
(R)-N-[(2S)-2-(2-fluorophenyl)-4-hydroxybutan-2-yl]-2-methylpropane-2-sulfinamide
CID 123856021
2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol
CID 106507214
4-amino-3-(5-fluoro-2-pyridinyl)-3-methylbutan-1-ol
CID 83129645
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
ethyl 2-(aminomethyl)-2-(2-fluorophenyl)-6-hydroxyhexanoate
CID 106490555
2-[[2-(2-fluorophenyl)-2-methylpropyl]amino]ethanol
CID 115216581
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CID 83919123

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol?
The IUPAC name of 4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol (CID 66089558) is 4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol.
What is the SMILES notation for 4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol?
The canonical SMILES for 4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol is CC(CN)(CCO)c1ccccc1F.
What is the InChIKey of 4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol?
The InChIKey is RYYTYSMAWQPTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(8-13,6-7-14)9-4-2-3-5-10(9)12/h2-5,14H,6-8,13H2,1H3.
What are the key properties of 4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol?
4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-fluorophenyl)-3-methylbutan-1-ol is sourced from PubChem (CID 66089558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).