1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol

C14H22FNO — CID 62772830

IUPAC1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol
SMILESCCC(O)(CNC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-5-14(17,10-16-13(2,3)4)11-6-8-12(15)9-7-11/h6-9,16-17H,5,10H2,1-4H3
InChIKeyHDYQEHLVEFUVBG-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.81
Rot. Bonds4

About 1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol

1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol (PubChem CID 62772830) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol
PubChem CID62772830
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol
SMILESCCC(O)(CNC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO/c1-5-14(17,10-16-13(2,3)4)11-6-8-12(15)9-7-11/h6-9,16-17H,5,10H2,1-4H3
InChIKeyHDYQEHLVEFUVBG-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-ethyl-N'-[(4-fluorophenyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 62271540
2-(4-fluorophenyl)propan-2-ol
CID 637733
ethyl N-[2-(4-fluorophenyl)-2-hydroxypropyl]carbamate
CID 110291402
2-(4-fluorophenyl)-2-(2,2,2-trifluoroethylamino)butanoic acid
CID 54892938
1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol
CID 103466071
4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol
CID 163265601
4-(4-fluorophenyl)-8,8-dimethylnonan-4-ol
CID 130315613
2-(4-bromophenyl)-1-(methylamino)butan-2-ol
CID 62773006
1-(tert-butylamino)-2-(5-fluoro-2-pyridinyl)propan-2-ol
CID 83129340
1-(tert-butylamino)-2-(4-fluoro-2-methylphenyl)propan-2-ol
CID 66036805
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
ethanimine;3-[4-(4-fluoroanilino)phenyl]hexan-3-ol
CID 143670849

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol?
The IUPAC name of 1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol (CID 62772830) is 1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol is CCC(O)(CNC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of 1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol?
The InChIKey is HDYQEHLVEFUVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-5-14(17,10-16-13(2,3)4)11-6-8-12(15)9-7-11/h6-9,16-17H,5,10H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol?
1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol has a molecular weight of 239.33 g/mol, XLogP of 2.81, 4 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-fluorophenyl)butan-2-ol is sourced from PubChem (CID 62772830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).