1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine

C10H11BrFNO — CID 84806376

IUPAC1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(F)c(Br)c(C2(N)CC2)c1
InChIInChI=1S/C10H11BrFNO/c1-14-6-4-7(10(13)2-3-10)9(11)8(12)5-6/h4-5H,2-3,13H2,1H3
InChIKeyYXDONVHCMPYADL-UHFFFAOYSA-N
MW260.11 g/mol
LogP2.54
Rot. Bonds2

About 1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine

1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine (PubChem CID 84806376) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is 1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
PubChem CID84806376
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1cc(F)c(Br)c(C2(N)CC2)c1
InChIInChI=1S/C10H11BrFNO/c1-14-6-4-7(10(13)2-3-10)9(11)8(12)5-6/h4-5H,2-3,13H2,1H3
InChIKeyYXDONVHCMPYADL-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84784359
1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine
CID 84811248
3-(1-aminocyclopropyl)-2-fluoro-5-methoxyphenol
CID 117286770
1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine
CID 84779618
1-(2-fluoro-5-methoxy-3-methylphenyl)cyclobutan-1-amine
CID 117299047
1-(3-chloro-5-methoxy-2-methylphenyl)cyclopropan-1-amine
CID 84782031
1-[(2,6-difluoro-4-methoxyphenyl)methyl]cyclopropan-1-amine
CID 117303787
1-(2-bromo-3-fluorophenyl)cyclopropan-1-amine
CID 84736108
1-(2-fluoro-4,6-dimethoxyphenyl)cyclopentan-1-amine
CID 84799753
1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 84792591
1-(2-bromo-4,6-dimethoxyphenyl)cyclopropan-1-amine
CID 84809508
1-(2-fluoro-4,6-dimethoxyphenyl)cyclohexan-1-amine
CID 117386080

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine (CID 84806376) is 1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine is COc1cc(F)c(Br)c(C2(N)CC2)c1.
What is the InChIKey of 1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is YXDONVHCMPYADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO/c1-14-6-4-7(10(13)2-3-10)9(11)8(12)5-6/h4-5H,2-3,13H2,1H3.
What are the key properties of 1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine?
1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 260.11 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84806376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).