3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol

C11H13BrF3NO — CID 63901849

IUPAC3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCN(Cc1ccccc1Br)CC(O)C(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-16(7-10(17)11(13,14)15)6-8-4-2-3-5-9(8)12/h2-5,10,17H,6-7H2,1H3
InChIKeyZMBHHRZCEXMUJA-UHFFFAOYSA-N
MW312.13 g/mol
LogP2.80
Rot. Bonds4

About 3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol

3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63901849) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
PubChem CID63901849
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC Name3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
SMILESCN(Cc1ccccc1Br)CC(O)C(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-16(7-10(17)11(13,14)15)6-8-4-2-3-5-9(8)12/h2-5,10,17H,6-7H2,1H3
InChIKeyZMBHHRZCEXMUJA-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
CID 61416488
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416139
1-[(2-bromophenyl)methyl-methylamino]-3-(methylamino)propan-2-ol
CID 61416140
N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 61420149
1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62633676
1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61420053
1-[(2-bromophenyl)methyl]-1,2-dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119131389
1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol
CID 61416373
N-[(2-bromophenyl)methyl]-N-methylhydroxylamine
CID 82613877
3-[[(2-bromophenyl)methyl-methylamino]methyl]pentan-3-ol
CID 113353894
2-bromo-N-[(2-bromophenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80690713

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol (CID 63901849) is 3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol is CN(Cc1ccccc1Br)CC(O)C(F)(F)F.
What is the InChIKey of 3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZMBHHRZCEXMUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c1-16(7-10(17)11(13,14)15)6-8-4-2-3-5-9(8)12/h2-5,10,17H,6-7H2,1H3.
What are the key properties of 3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol?
3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 312.13 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).