1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol

C13H20FNO — CID 114492688

IUPAC1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol
SMILESCc1cc(F)ccc1NCC(C)(O)C(C)C
InChIInChI=1S/C13H20FNO/c1-9(2)13(4,16)8-15-12-6-5-11(14)7-10(12)3/h5-7,9,15-16H,8H2,1-4H3
InChIKeyBEOWKJQVLZMMKC-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol

1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol (PubChem CID 114492688) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol
PubChem CID114492688
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol
SMILESCc1cc(F)ccc1NCC(C)(O)C(C)C
InChIInChI=1S/C13H20FNO/c1-9(2)13(4,16)8-15-12-6-5-11(14)7-10(12)3/h5-7,9,15-16H,8H2,1-4H3
InChIKeyBEOWKJQVLZMMKC-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluoro-2-methylphenyl)ethylamino]-2,3-dimethylbutan-2-ol
CID 114493387
1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 114492664
N-(3,3-dimethylbutyl)-4-fluoro-2-methylaniline
CID 60679968
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
4-fluoro-2-methyl-N-(3-methylbut-2-enyl)aniline
CID 103604424
tert-butyl N-[2-(4-fluoro-2-methylanilino)propyl]carbamate
CID 103387299
4-fluoro-2-methyl-N-prop-2-enylaniline
CID 62141811
3-(2,4-difluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414588
N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490740
1-(4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 58481762
1-[2-(4-fluoro-2-methylanilino)acetyl]piperidine-4-carboxamide
CID 37273732
4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29299136

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol (CID 114492688) is 1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol is Cc1cc(F)ccc1NCC(C)(O)C(C)C.
What is the InChIKey of 1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol?
The InChIKey is BEOWKJQVLZMMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)13(4,16)8-15-12-6-5-11(14)7-10(12)3/h5-7,9,15-16H,8H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol?
1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol has a molecular weight of 225.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114492688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).