1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol

C12H18FNO — CID 66038175

IUPAC1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-3-14-9-12(2,15)8-10-4-6-11(13)7-5-10/h4-7,14-15H,3,8-9H2,1-2H3
InChIKeyVGVBIHLVVHEENN-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.73
Rot. Bonds5

About 1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol

1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 66038175) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
PubChem CID66038175
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
SMILESCCNCC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNO/c1-3-14-9-12(2,15)8-10-4-6-11(13)7-5-10/h4-7,14-15H,3,8-9H2,1-2H3
InChIKeyVGVBIHLVVHEENN-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037529
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol
CID 163265601
1-(4-fluorophenyl)-2,4-dimethylhexan-2-ol
CID 114832950
4-(4-fluorophenyl)-3-hydroxy-3-methylbutanenitrile
CID 114835001
N,2-diethyl-2-[(4-fluorophenyl)methyl]hexan-1-amine
CID 55195481
1-(4-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66040311
3-[(4-fluorophenyl)methyl]pentan-3-ol
CID 60797567
1-(5-bromo-2-fluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 66036998
1-(3-bromo-2,6-difluorophenyl)-3-(ethylamino)-2-methylpropan-2-ol
CID 106273667
1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol
CID 114833191

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol (CID 66038175) is 1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol is CCNCC(C)(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is VGVBIHLVVHEENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-3-14-9-12(2,15)8-10-4-6-11(13)7-5-10/h4-7,14-15H,3,8-9H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol?
1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 66038175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).