1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol

C13H19F2NO — CID 114934806

IUPAC1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol
SMILESCC(C)(C)NCC(O)Cc1c(F)cccc1F
InChIInChI=1S/C13H19F2NO/c1-13(2,3)16-8-9(17)7-10-11(14)5-4-6-12(10)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyBKFCTKCCVREMLF-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.26
Rot. Bonds4

About 1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol

1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol (PubChem CID 114934806) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol
PubChem CID114934806
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol
SMILESCC(C)(C)NCC(O)Cc1c(F)cccc1F
InChIInChI=1S/C13H19F2NO/c1-13(2,3)16-8-9(17)7-10-11(14)5-4-6-12(10)15/h4-6,9,16-17H,7-8H2,1-3H3
InChIKeyBKFCTKCCVREMLF-UHFFFAOYSA-N
XLogP2.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(2,6-difluorophenyl)-2,3-dimethylbutan-1-amine
CID 114935164
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114
1-amino-3-(2-fluoro-6-methoxyphenyl)propan-2-ol
CID 83442464
1-(2,6-difluorophenyl)butane-2,3-diol
CID 103452859
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
4-(diethylamino)-1-(2,6-difluorophenyl)butan-2-ol
CID 114931570
N'-tert-butyl-N-[(2,6-difluorophenyl)methyl]ethane-1,2-diamine
CID 113405352
(1S)-2-(tert-butylamino)-1-(8-fluoroquinolin-2-yl)ethanol;sulfane
CID 167620692
1-(tert-butylamino)-3-(3-chloro-2-fluorophenoxy)propan-2-ol
CID 116688883
1-[2-[(tert-butylamino)methyl]-6-fluorophenoxy]propan-2-ol
CID 112610710

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol (CID 114934806) is 1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol is CC(C)(C)NCC(O)Cc1c(F)cccc1F.
What is the InChIKey of 1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol?
The InChIKey is BKFCTKCCVREMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-13(2,3)16-8-9(17)7-10-11(14)5-4-6-12(10)15/h4-6,9,16-17H,7-8H2,1-3H3.
What are the key properties of 1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol?
1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol has a molecular weight of 243.30 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2,6-difluorophenyl)propan-2-ol is sourced from PubChem (CID 114934806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).