2-(2-fluoroanilino)-3-methylbutan-1-ol

C11H16FNO — CID 61317704

IUPAC2-(2-fluoroanilino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1ccccc1F
InChIInChI=1S/C11H16FNO/c1-8(2)11(7-14)13-10-6-4-3-5-9(10)12/h3-6,8,11,13-14H,7H2,1-2H3
InChIKeyDNGFNEHRNWEEJG-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.25
Rot. Bonds4

About 2-(2-fluoroanilino)-3-methylbutan-1-ol

2-(2-fluoroanilino)-3-methylbutan-1-ol (PubChem CID 61317704) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-(2-fluoroanilino)-3-methylbutan-1-ol
PubChem CID61317704
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(2-fluoroanilino)-3-methylbutan-1-ol
SMILESCC(C)C(CO)Nc1ccccc1F
InChIInChI=1S/C11H16FNO/c1-8(2)11(7-14)13-10-6-4-3-5-9(10)12/h3-6,8,11,13-14H,7H2,1-2H3
InChIKeyDNGFNEHRNWEEJG-UHFFFAOYSA-N
XLogP2.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroanilino)-3-methylpentan-1-ol
CID 61319749
2-fluoro-N-[(3R)-2-methylpentan-3-yl]aniline
CID 93283017
2-(2-fluoroanilino)-3,5-dimethylhexan-1-ol
CID 114201083
(2S)-2-[2-(aminomethyl)-3-fluoroanilino]-3-methylbutan-1-ol
CID 79517811
N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79248992
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]benzoic acid
CID 79250086
3-fluoro-4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]benzoic acid
CID 79245827
4-(2-fluoroanilino)pentan-1-ol
CID 115975993
2-[1-(2,6-difluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 79253650
2-[2-(2-fluorophenyl)ethylamino]-3-methylbutan-1-ol
CID 115137737
3-methyl-2-[3-(methylamino)-2-nitroanilino]butan-1-ol
CID 80848426
2-(1-benzothiophen-3-ylamino)-3-methylbutan-1-ol
CID 115137355

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-3-methylbutan-1-ol?
The IUPAC name of 2-(2-fluoroanilino)-3-methylbutan-1-ol (CID 61317704) is 2-(2-fluoroanilino)-3-methylbutan-1-ol.
What is the SMILES notation for 2-(2-fluoroanilino)-3-methylbutan-1-ol?
The canonical SMILES for 2-(2-fluoroanilino)-3-methylbutan-1-ol is CC(C)C(CO)Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-3-methylbutan-1-ol?
The InChIKey is DNGFNEHRNWEEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(2)11(7-14)13-10-6-4-3-5-9(10)12/h3-6,8,11,13-14H,7H2,1-2H3.
What are the key properties of 2-(2-fluoroanilino)-3-methylbutan-1-ol?
2-(2-fluoroanilino)-3-methylbutan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-3-methylbutan-1-ol is sourced from PubChem (CID 61317704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).