[1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine

C12H15BrFNO2 — CID 117489270

IUPAC[1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine
SMILESCOc1c(Br)cc(F)c(C2(CN)CC2)c1OC
InChIInChI=1S/C12H15BrFNO2/c1-16-10-7(13)5-8(14)9(11(10)17-2)12(6-15)3-4-12/h5H,3-4,6,15H2,1-2H3
InChIKeyOLVUKKPZPHXWLO-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.60
Rot. Bonds4

About [1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine

[1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine (PubChem CID 117489270) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is [1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine
PubChem CID117489270
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name[1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine
SMILESCOc1c(Br)cc(F)c(C2(CN)CC2)c1OC
InChIInChI=1S/C12H15BrFNO2/c1-16-10-7(13)5-8(14)9(11(10)17-2)12(6-15)3-4-12/h5H,3-4,6,15H2,1-2H3
InChIKeyOLVUKKPZPHXWLO-UHFFFAOYSA-N
XLogP2.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol
CID 117489148
[1-(3-bromo-2-methoxy-5,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497539
[1-(3-bromo-4-fluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 117437550
[1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117499180
[1-(2,6-difluoro-4-methoxyphenyl)cyclohexyl]methanamine
CID 117391281
[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]methanamine
CID 84794179
1-(6-bromo-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117489156
[1-(6-bromo-3-methoxy-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 117497424
[1-(3-chloro-6-fluoro-2-methoxyphenyl)cyclopentyl]methanamine
CID 117397976
[1-(3-bromo-2-methoxy-4,6-dimethylphenyl)cyclopentyl]methanamine
CID 117497426
[1-(3-fluoro-2-methoxy-6-methylphenyl)cyclopentyl]methanamine
CID 117347431
6-[1-(aminomethyl)cyclopropyl]-2,4-difluoro-3-methoxyphenol
CID 84792634

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine?
The IUPAC name of [1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine (CID 117489270) is [1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine is COc1c(Br)cc(F)c(C2(CN)CC2)c1OC.
What is the InChIKey of [1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine?
The InChIKey is OLVUKKPZPHXWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-16-10-7(13)5-8(14)9(11(10)17-2)12(6-15)3-4-12/h5H,3-4,6,15H2,1-2H3.
What are the key properties of [1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine?
[1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine has a molecular weight of 304.16 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-6-fluoro-2,3-dimethoxyphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 117489270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).