4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol

C13H20FNO — CID 81348060

IUPAC4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol
SMILESC[C@H](NCCC(C)(C)O)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-10(15-9-8-13(2,3)16)11-4-6-12(14)7-5-11/h4-7,10,15-16H,8-9H2,1-3H3/t10-/m0/s1
InChIKeyZXHXYVJUDKYGNG-JTQLQIEISA-N
MW225.31 g/mol
LogP2.64
Rot. Bonds5

About 4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol

4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol (PubChem CID 81348060) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol
PubChem CID81348060
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol
SMILESC[C@H](NCCC(C)(C)O)c1ccc(F)cc1
InChIInChI=1S/C13H20FNO/c1-10(15-9-8-13(2,3)16)11-4-6-12(14)7-5-11/h4-7,10,15-16H,8-9H2,1-3H3/t10-/m0/s1
InChIKeyZXHXYVJUDKYGNG-JTQLQIEISA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 10889092
N'-[1-(4-fluorophenyl)ethyl]ethane-1,2-diamine
CID 60887762
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
N-[1-(4-fluorophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 114449108
(4R)-4-(4-fluorophenyl)-6-[[(1S)-1-(4-methylphenyl)ethyl]amino]hexane-1,4-diol
CID 90346591
1-[1-(4-fluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62374837
2-methyl-4-[[(1R)-1-pyridin-3-ylethyl]amino]butan-2-ol
CID 81405139
5-[1-(4-fluorophenyl)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063738
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
2,6,10-trimethyl-12-(1-phenylethylamino)dodecane-2,6,10-triol
CID 19928719
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
3,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]butan-1-amine
CID 63438479

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol (CID 81348060) is 4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol is C[C@H](NCCC(C)(C)O)c1ccc(F)cc1.
What is the InChIKey of 4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol?
The InChIKey is ZXHXYVJUDKYGNG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20FNO/c1-10(15-9-8-13(2,3)16)11-4-6-12(14)7-5-11/h4-7,10,15-16H,8-9H2,1-3H3/t10-/m0/s1.
What are the key properties of 4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol?
4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol has a molecular weight of 225.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 81348060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).