1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol

C14H22FNO — CID 66036805

IUPAC1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol
SMILESCc1cc(F)ccc1C(C)(O)CNC(C)(C)C
InChIInChI=1S/C14H22FNO/c1-10-8-11(15)6-7-12(10)14(5,17)9-16-13(2,3)4/h6-8,16-17H,9H2,1-5H3
InChIKeyUKTSEEDVNTUOFO-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.73
Rot. Bonds3

About 1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol

1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol (PubChem CID 66036805) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol
PubChem CID66036805
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol
SMILESCc1cc(F)ccc1C(C)(O)CNC(C)(C)C
InChIInChI=1S/C14H22FNO/c1-10-8-11(15)6-7-12(10)14(5,17)9-16-13(2,3)4/h6-8,16-17H,9H2,1-5H3
InChIKeyUKTSEEDVNTUOFO-UHFFFAOYSA-N
XLogP2.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(tert-butylamino)-2-(2,5-dimethylphenyl)propan-2-ol
CID 62773602
4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol
CID 66001269
1-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)ethanol
CID 55116263
4-(tert-butylamino)-2-(2,4-dimethylphenyl)butan-2-ol
CID 66001267
1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83129340
2-(4-fluoro-2-methylphenyl)propan-2-amine
CID 62790601
1-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-(4-fluoro-2-methylphenyl)urea
CID 111335598
N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 81022530
2-(4-bromo-2-chlorophenyl)-1-(tert-butylamino)propan-2-ol
CID 82780730
2-[[[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]-4,5-dimethylphenol
CID 99811943
2-[[[(2R)-2-(2,4-difluorophenyl)-2-hydroxypropyl]amino]methyl]-4,5-dimethylphenol
CID 99811942
2-fluoro-2-(4-fluoro-2-methylphenyl)propan-1-amine
CID 112565193

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol (CID 66036805) is 1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol is Cc1cc(F)ccc1C(C)(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol?
The InChIKey is UKTSEEDVNTUOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10-8-11(15)6-7-12(10)14(5,17)9-16-13(2,3)4/h6-8,16-17H,9H2,1-5H3.
What are the key properties of 1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol?
1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol has a molecular weight of 239.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 66036805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).