2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol

C10H13BrFNO — CID 130921663

IUPAC2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)c1c(F)cccc1Br
InChIInChI=1S/C10H13BrFNO/c1-10(2,13)9(14)8-6(11)4-3-5-7(8)12/h3-5,9,14H,13H2,1-2H3
InChIKeyAOSHGWHYVCJHJK-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.36
Rot. Bonds2

About 2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol

2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 130921663) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol
PubChem CID130921663
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(C)(N)C(O)c1c(F)cccc1Br
InChIInChI=1S/C10H13BrFNO/c1-10(2,13)9(14)8-6(11)4-3-5-7(8)12/h3-5,9,14H,13H2,1-2H3
InChIKeyAOSHGWHYVCJHJK-UHFFFAOYSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-bromo-6-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130901944
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961
(1R,2R)-1-amino-1-(2-bromo-6-fluorophenyl)propan-2-ol
CID 130636781
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
1-(2-bromo-6-fluorophenyl)-2,2-difluoroethanol
CID 130062648
(1R,2S)-1-amino-1-(2-bromo-6-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171261980
(2-bromo-6-fluorophenyl)-(2,6-difluorophenyl)methanamine
CID 114886783
1-(2-bromo-6-fluorophenyl)-2,2,2-trifluoroethanamine
CID 77127823
(2-bromo-6-fluorophenyl)-(5-tert-butylthiophen-2-yl)methanamine
CID 114559117
3-amino-1-(2,6-difluorophenyl)-2,2-dimethylpropan-1-ol
CID 79138972
(2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 114885677

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol (CID 130921663) is 2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol is CC(C)(N)C(O)c1c(F)cccc1Br.
What is the InChIKey of 2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is AOSHGWHYVCJHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-10(2,13)9(14)8-6(11)4-3-5-7(8)12/h3-5,9,14H,13H2,1-2H3.
What are the key properties of 2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol?
2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 262.12 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-6-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 130921663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).