1-(2-fluoro-5-methylanilino)butan-2-ol

C11H16FNO — CID 60887090

IUPAC1-(2-fluoro-5-methylanilino)butan-2-ol
SMILESCCC(O)CNc1cc(C)ccc1F
InChIInChI=1S/C11H16FNO/c1-3-9(14)7-13-11-6-8(2)4-5-10(11)12/h4-6,9,13-14H,3,7H2,1-2H3
InChIKeyXOMAGCMFRFPUIT-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.32
Rot. Bonds4

About 1-(2-fluoro-5-methylanilino)butan-2-ol

1-(2-fluoro-5-methylanilino)butan-2-ol (PubChem CID 60887090) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylanilino)butan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-5-methylanilino)butan-2-ol
PubChem CID60887090
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name1-(2-fluoro-5-methylanilino)butan-2-ol
SMILESCCC(O)CNc1cc(C)ccc1F
InChIInChI=1S/C11H16FNO/c1-3-9(14)7-13-11-6-8(2)4-5-10(11)12/h4-6,9,13-14H,3,7H2,1-2H3
InChIKeyXOMAGCMFRFPUIT-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-methylanilino)butan-2-ol
CID 107634619
1-(2-bromo-4-methylanilino)butan-2-ol
CID 60886416
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
1-(2-butoxyethoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60901744
1-(2-fluoro-5-methylanilino)-3-(2-fluorophenoxy)propan-2-ol
CID 60900206
1-(4-bromophenoxy)-3-(2-fluoro-5-methylanilino)propan-2-ol
CID 60900397
1-(2-fluoro-5-methylanilino)-3-phenylmethoxypropan-2-ol
CID 60900779
N-butyl-2-fluoro-5-methylaniline
CID 28877664
2-ethyl-N-(2-fluoro-5-methylphenyl)butanamide
CID 52892789
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
N-(3,3-dimethylbutyl)-2-fluoro-5-methylaniline
CID 60679773
3-[5-methyl-2-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593240

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylanilino)butan-2-ol?
The IUPAC name of 1-(2-fluoro-5-methylanilino)butan-2-ol (CID 60887090) is 1-(2-fluoro-5-methylanilino)butan-2-ol.
What is the SMILES notation for 1-(2-fluoro-5-methylanilino)butan-2-ol?
The canonical SMILES for 1-(2-fluoro-5-methylanilino)butan-2-ol is CCC(O)CNc1cc(C)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methylanilino)butan-2-ol?
The InChIKey is XOMAGCMFRFPUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-3-9(14)7-13-11-6-8(2)4-5-10(11)12/h4-6,9,13-14H,3,7H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylanilino)butan-2-ol?
1-(2-fluoro-5-methylanilino)butan-2-ol has a molecular weight of 197.25 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylanilino)butan-2-ol is sourced from PubChem (CID 60887090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).