4-(4-ethyl-3-fluoroanilino)pentan-1-ol

C13H20FNO — CID 115976008

IUPAC4-(4-ethyl-3-fluoroanilino)pentan-1-ol
SMILESCCc1ccc(NC(C)CCCO)cc1F
InChIInChI=1S/C13H20FNO/c1-3-11-6-7-12(9-13(11)14)15-10(2)5-4-8-16/h6-7,9-10,15-16H,3-5,8H2,1-2H3
InChIKeyYOGQYUFEZLKOCB-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.96
Rot. Bonds6

About 4-(4-ethyl-3-fluoroanilino)pentan-1-ol

4-(4-ethyl-3-fluoroanilino)pentan-1-ol (PubChem CID 115976008) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 4-(4-ethyl-3-fluoroanilino)pentan-1-ol.

Molecular Properties

Compound Name4-(4-ethyl-3-fluoroanilino)pentan-1-ol
PubChem CID115976008
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name4-(4-ethyl-3-fluoroanilino)pentan-1-ol
SMILESCCc1ccc(NC(C)CCCO)cc1F
InChIInChI=1S/C13H20FNO/c1-3-11-6-7-12(9-13(11)14)15-10(2)5-4-8-16/h6-7,9-10,15-16H,3-5,8H2,1-2H3
InChIKeyYOGQYUFEZLKOCB-UHFFFAOYSA-N
XLogP2.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-3-fluoro-N-(4-methoxybutan-2-yl)aniline
CID 115760953
(4S)-4-(4-methylanilino)pentan-1-ol
CID 94830686
2-fluoro-4-(hexadecan-2-ylamino)benzoic acid
CID 20536551
(4R)-4-(3-methylanilino)pentan-1-ol
CID 94830689
2-bromo-4-(5-hydroxypentan-2-ylamino)benzoic acid
CID 107282200
4-(3-chloroanilino)pentan-1-ol
CID 115975852
3-fluoro-4-methyl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534048
2-(3,4-difluoroanilino)propan-1-ol
CID 130502592
4-[4-(dimethylamino)anilino]pentan-1-ol
CID 115976111
4-(2-fluoroanilino)pentan-1-ol
CID 115975993
4-(3-methylsulfonyl-4-nitroanilino)pentan-1-ol
CID 133412343
4-(2-fluoro-5-methylanilino)pentan-1-ol
CID 115976054

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3-fluoroanilino)pentan-1-ol?
The IUPAC name of 4-(4-ethyl-3-fluoroanilino)pentan-1-ol (CID 115976008) is 4-(4-ethyl-3-fluoroanilino)pentan-1-ol.
What is the SMILES notation for 4-(4-ethyl-3-fluoroanilino)pentan-1-ol?
The canonical SMILES for 4-(4-ethyl-3-fluoroanilino)pentan-1-ol is CCc1ccc(NC(C)CCCO)cc1F.
What is the InChIKey of 4-(4-ethyl-3-fluoroanilino)pentan-1-ol?
The InChIKey is YOGQYUFEZLKOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-11-6-7-12(9-13(11)14)15-10(2)5-4-8-16/h6-7,9-10,15-16H,3-5,8H2,1-2H3.
What are the key properties of 4-(4-ethyl-3-fluoroanilino)pentan-1-ol?
4-(4-ethyl-3-fluoroanilino)pentan-1-ol has a molecular weight of 225.31 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3-fluoroanilino)pentan-1-ol is sourced from PubChem (CID 115976008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).