1-(N-ethyl-3-fluoroanilino)pentan-2-ol

C13H20FNO — CID 62044327

IUPAC1-(N-ethyl-3-fluoroanilino)pentan-2-ol
SMILESCCCC(O)CN(CC)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-3-6-13(16)10-15(4-2)12-8-5-7-11(14)9-12/h5,7-9,13,16H,3-4,6,10H2,1-2H3
InChIKeySZNKKNCBWNQHCC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.81
Rot. Bonds6

About 1-(N-ethyl-3-fluoroanilino)pentan-2-ol

1-(N-ethyl-3-fluoroanilino)pentan-2-ol (PubChem CID 62044327) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(N-ethyl-3-fluoroanilino)pentan-2-ol.

Molecular Properties

Compound Name1-(N-ethyl-3-fluoroanilino)pentan-2-ol
PubChem CID62044327
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(N-ethyl-3-fluoroanilino)pentan-2-ol
SMILESCCCC(O)CN(CC)c1cccc(F)c1
InChIInChI=1S/C13H20FNO/c1-3-6-13(16)10-15(4-2)12-8-5-7-11(14)9-12/h5,7-9,13,16H,3-4,6,10H2,1-2H3
InChIKeySZNKKNCBWNQHCC-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(N-ethyl-3-fluoroanilino)-3-(2-methylpropylamino)propan-2-ol
CID 115475172
N-(2,2-dimethoxyethyl)-N-ethyl-3-fluoroaniline
CID 66222968
N'-ethyl-N'-(3-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 107520614
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785
3-(N-ethyl-3-fluoroanilino)butan-2-ol
CID 78977221
1-(N-ethyl-2-methylanilino)pentan-2-ol
CID 62041707
N'-ethyl-N'-(3-fluorophenyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287798
1-(N-ethyl-3-methylanilino)-3-[4-[3-(N-ethyl-3-methylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133401
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
3-(N-ethyl-3-fluoroanilino)-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64827300
(1R)-1-[4-(N-ethyl-3-fluoroanilino)phenyl]ethanol
CID 78940802

Frequently Asked Questions

What is the IUPAC name of 1-(N-ethyl-3-fluoroanilino)pentan-2-ol?
The IUPAC name of 1-(N-ethyl-3-fluoroanilino)pentan-2-ol (CID 62044327) is 1-(N-ethyl-3-fluoroanilino)pentan-2-ol.
What is the SMILES notation for 1-(N-ethyl-3-fluoroanilino)pentan-2-ol?
The canonical SMILES for 1-(N-ethyl-3-fluoroanilino)pentan-2-ol is CCCC(O)CN(CC)c1cccc(F)c1.
What is the InChIKey of 1-(N-ethyl-3-fluoroanilino)pentan-2-ol?
The InChIKey is SZNKKNCBWNQHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-6-13(16)10-15(4-2)12-8-5-7-11(14)9-12/h5,7-9,13,16H,3-4,6,10H2,1-2H3.
What are the key properties of 1-(N-ethyl-3-fluoroanilino)pentan-2-ol?
1-(N-ethyl-3-fluoroanilino)pentan-2-ol has a molecular weight of 225.31 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-ethyl-3-fluoroanilino)pentan-2-ol is sourced from PubChem (CID 62044327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).