3-(N-ethyl-3-fluoroanilino)butan-2-ol

C12H18FNO — CID 78977221

IUPAC3-(N-ethyl-3-fluoroanilino)butan-2-ol
SMILESCCN(c1cccc(F)c1)C(C)C(C)O
InChIInChI=1S/C12H18FNO/c1-4-14(9(2)10(3)15)12-7-5-6-11(13)8-12/h5-10,15H,4H2,1-3H3
InChIKeyOBGOEJSFUNAVMX-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.42
Rot. Bonds4

About 3-(N-ethyl-3-fluoroanilino)butan-2-ol

3-(N-ethyl-3-fluoroanilino)butan-2-ol (PubChem CID 78977221) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-(N-ethyl-3-fluoroanilino)butan-2-ol.

Molecular Properties

Compound Name3-(N-ethyl-3-fluoroanilino)butan-2-ol
PubChem CID78977221
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-(N-ethyl-3-fluoroanilino)butan-2-ol
SMILESCCN(c1cccc(F)c1)C(C)C(C)O
InChIInChI=1S/C12H18FNO/c1-4-14(9(2)10(3)15)12-7-5-6-11(13)8-12/h5-10,15H,4H2,1-3H3
InChIKeyOBGOEJSFUNAVMX-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(N-ethyl-3-fluoroanilino)ethyl]phenol
CID 82981672
3-[1-(N-ethyl-3-fluoroanilino)ethyl]phenol
CID 82982597
(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
CID 78940802
1-(N-ethyl-3-fluoroanilino)pentan-2-ol
CID 62044327
1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol
CID 115475172
2-[N-(2-carboxyethyl)-3-fluoroanilino]propanoic acid
CID 82317163
3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827300
N-ethyl-3-fluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]aniline
CID 63551208
1-ethyl-3-(3-fluorophenyl)-1,3-dimethylurea
CID 116655437
2-(3-fluoro-N-methylanilino)-3-methylbutan-1-ol
CID 115137475
N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline
CID 66222968
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-3-fluoroanilino)butan-2-ol?
The IUPAC name of 3-(N-ethyl-3-fluoroanilino)butan-2-ol (CID 78977221) is 3-(N-ethyl-3-fluoroanilino)butan-2-ol.
What is the SMILES notation for 3-(N-ethyl-3-fluoroanilino)butan-2-ol?
The canonical SMILES for 3-(N-ethyl-3-fluoroanilino)butan-2-ol is CCN(c1cccc(F)c1)C(C)C(C)O.
What is the InChIKey of 3-(N-ethyl-3-fluoroanilino)butan-2-ol?
The InChIKey is OBGOEJSFUNAVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-4-14(9(2)10(3)15)12-7-5-6-11(13)8-12/h5-10,15H,4H2,1-3H3.
What are the key properties of 3-(N-ethyl-3-fluoroanilino)butan-2-ol?
3-(N-ethyl-3-fluoroanilino)butan-2-ol has a molecular weight of 211.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-3-fluoroanilino)butan-2-ol is sourced from PubChem (CID 78977221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).