3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol

C12H17BrFNO — CID 62816209

IUPAC3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol
SMILESCC(NCc1cc(Br)ccc1F)C(C)(C)O
InChIInChI=1S/C12H17BrFNO/c1-8(12(2,3)16)15-7-9-6-10(13)4-5-11(9)14/h4-6,8,15-16H,7H2,1-3H3
InChIKeyDOZMFHJKMKQUCJ-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.84
Rot. Bonds4

About 3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol

3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol (PubChem CID 62816209) has the molecular formula C12H17BrFNO and a molecular weight of 290.18 g/mol. Its IUPAC name is 3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol
PubChem CID62816209
Molecular FormulaC12H17BrFNO
Molecular Weight290.18 g/mol
Exact Mass289.05
IUPAC Name3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol
SMILESCC(NCc1cc(Br)ccc1F)C(C)(C)O
InChIInChI=1S/C12H17BrFNO/c1-8(12(2,3)16)15-7-9-6-10(13)4-5-11(9)14/h4-6,8,15-16H,7H2,1-3H3
InChIKeyDOZMFHJKMKQUCJ-UHFFFAOYSA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]ethanamine
CID 82964766
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639897
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]butan-2-amine
CID 83186890
2-[(5-bromo-2-fluorophenyl)methylamino]-2-methylpropan-1-ol
CID 28724862
N-[(5-bromo-2-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 63987847
methyl 3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutanoate
CID 79391422
3-[(5-bromo-2-fluorophenyl)methylamino]pentan-1-ol
CID 111449155
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43078406
N-[(5-bromo-2-fluorophenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271161
N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine
CID 63455979
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol (CID 62816209) is 3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol is CC(NCc1cc(Br)ccc1F)C(C)(C)O.
What is the InChIKey of 3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol?
The InChIKey is DOZMFHJKMKQUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrFNO/c1-8(12(2,3)16)15-7-9-6-10(13)4-5-11(9)14/h4-6,8,15-16H,7H2,1-3H3.
What are the key properties of 3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol?
3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol has a molecular weight of 290.18 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-fluorophenyl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 62816209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).