2-(4-fluoroanilino)-2-methylbutan-1-ol

C11H16FNO — CID 61050548

IUPAC2-(4-fluoroanilino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-3-11(2,8-14)13-10-6-4-9(12)5-7-10/h4-7,13-14H,3,8H2,1-2H3
InChIKeyVOLKKKYHSMRCNX-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.40
Rot. Bonds4

About 2-(4-fluoroanilino)-2-methylbutan-1-ol

2-(4-fluoroanilino)-2-methylbutan-1-ol (PubChem CID 61050548) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(4-fluoroanilino)-2-methylbutan-1-ol
PubChem CID61050548
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(4-fluoroanilino)-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1ccc(F)cc1
InChIInChI=1S/C11H16FNO/c1-3-11(2,8-14)13-10-6-4-9(12)5-7-10/h4-7,13-14H,3,8H2,1-2H3
InChIKeyVOLKKKYHSMRCNX-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 63271193
2-(4-fluoroanilino)-2-propylpentan-1-ol
CID 61048961
2-[(5-fluoropyrimidin-2-yl)amino]-2-methylbutan-1-ol
CID 115750244
2-methyl-2-(2,3,4,5,6-pentafluoroanilino)butan-1-ol
CID 64556841
4-[(1-hydroxy-2-methylbutan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 64558207
2-(4-fluoroanilino)-3-methyl-2-propan-2-ylbutan-1-ol
CID 112743486
2-(4-fluoroanilino)-2-(2-fluorophenyl)propan-1-ol
CID 61048560
2-(4-fluoroanilino)-2-(2-methylphenyl)propan-1-ol
CID 61047955
2-N-(4-fluorophenyl)-2-methylheptane-1,2-diamine
CID 80557635
2-(4-chloroanilino)-2-methylpentan-1-ol
CID 61047723
2-(4-fluoroanilino)-2-(2,4,6-trimethylphenyl)propan-1-ol
CID 61048556
2-N-(4-bromophenyl)-2-methylbutane-1,2-diamine
CID 65385972

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-2-methylbutan-1-ol?
The IUPAC name of 2-(4-fluoroanilino)-2-methylbutan-1-ol (CID 61050548) is 2-(4-fluoroanilino)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(4-fluoroanilino)-2-methylbutan-1-ol?
The canonical SMILES for 2-(4-fluoroanilino)-2-methylbutan-1-ol is CCC(C)(CO)Nc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluoroanilino)-2-methylbutan-1-ol?
The InChIKey is VOLKKKYHSMRCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-11(2,8-14)13-10-6-4-9(12)5-7-10/h4-7,13-14H,3,8H2,1-2H3.
What are the key properties of 2-(4-fluoroanilino)-2-methylbutan-1-ol?
2-(4-fluoroanilino)-2-methylbutan-1-ol has a molecular weight of 197.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-2-methylbutan-1-ol is sourced from PubChem (CID 61050548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).