1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol

C14H21BrFNO — CID 115137230

IUPAC1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCC(C)(C)c1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFNO/c1-13(2,8-17-9-14(3,4)18)11-7-10(15)5-6-12(11)16/h5-7,17-18H,8-9H2,1-4H3
InChIKeyJJKNSUZFDVKJOL-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.23
Rot. Bonds5

About 1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol

1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol (PubChem CID 115137230) has the molecular formula C14H21BrFNO and a molecular weight of 318.23 g/mol. Its IUPAC name is 1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
PubChem CID115137230
Molecular FormulaC14H21BrFNO
Molecular Weight318.23 g/mol
Exact Mass317.08
IUPAC Name1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)CNCC(C)(C)c1cc(Br)ccc1F
InChIInChI=1S/C14H21BrFNO/c1-13(2,8-17-9-14(3,4)18)11-7-10(15)5-6-12(11)16/h5-7,17-18H,8-9H2,1-4H3
InChIKeyJJKNSUZFDVKJOL-UHFFFAOYSA-N
XLogP3.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-N-(bromomethyl)-2-methylpropan-1-amine
CID 115262615
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]propan-2-one
CID 115235320
2-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]acetaldehyde
CID 115223587
N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,3-diamine
CID 115197606
3-N-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120210
N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203524
2-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropanenitrile
CID 115129813
4-bromo-2-(4-bromo-2-methylpentan-2-yl)-1-fluorobenzene
CID 79739124
1-[[2-(4-bromo-2-chlorophenyl)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 138016345
1-[4-bromo-2-(trifluoromethyl)anilino]-2-methylpropan-2-ol
CID 60886097
4-(5-bromo-2-fluorophenyl)-N-ethyl-4-methylpentan-2-amine
CID 79739119
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol (CID 115137230) is 1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol is CC(C)(O)CNCC(C)(C)c1cc(Br)ccc1F.
What is the InChIKey of 1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol?
The InChIKey is JJKNSUZFDVKJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrFNO/c1-13(2,8-17-9-14(3,4)18)11-7-10(15)5-6-12(11)16/h5-7,17-18H,8-9H2,1-4H3.
What are the key properties of 1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol?
1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol has a molecular weight of 318.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 115137230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).