1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine

C11H11BrF3NO — CID 117494647

IUPAC1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESCOc1c(C(F)(F)F)cc(Br)cc1C1(N)CC1
InChIInChI=1S/C11H11BrF3NO/c1-17-9-7(10(16)2-3-10)4-6(12)5-8(9)11(13,14)15/h4-5H,2-3,16H2,1H3
InChIKeyOBZLSFBFOKKIBU-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.42
Rot. Bonds2

About 1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine

1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine (PubChem CID 117494647) has the molecular formula C11H11BrF3NO and a molecular weight of 310.11 g/mol. Its IUPAC name is 1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine
PubChem CID117494647
Molecular FormulaC11H11BrF3NO
Molecular Weight310.11 g/mol
Exact Mass309.00
IUPAC Name1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine
SMILESCOc1c(C(F)(F)F)cc(Br)cc1C1(N)CC1
InChIInChI=1S/C11H11BrF3NO/c1-17-9-7(10(16)2-3-10)4-6(12)5-8(9)11(13,14)15/h4-5H,2-3,16H2,1H3
InChIKeyOBZLSFBFOKKIBU-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxy-3-propan-2-ylphenyl)cyclopropan-1-amine
CID 84812947
1-(5-bromo-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117480330
1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine
CID 84811248
1-[3-(1,1-difluoroethyl)-2-methoxy-5-methylphenyl]cyclobutan-1-amine
CID 117391359
5-bromo-1-(bromomethyl)-2-methoxy-3-(trifluoromethyl)benzene
CID 130153862
2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117481446
1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 84792591
2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117499005
1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 84812944
1-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-ol
CID 117409738
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117488350
1-(2,3-dimethoxy-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84788006

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine (CID 117494647) is 1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine is COc1c(C(F)(F)F)cc(Br)cc1C1(N)CC1.
What is the InChIKey of 1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine?
The InChIKey is OBZLSFBFOKKIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF3NO/c1-17-9-7(10(16)2-3-10)4-6(12)5-8(9)11(13,14)15/h4-5H,2-3,16H2,1H3.
What are the key properties of 1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine?
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine has a molecular weight of 310.11 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 117494647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).