1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine

C10H10BrF2NO — CID 84811248

IUPAC1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1c(C2(N)CC2)cc(F)c(Br)c1F
InChIInChI=1S/C10H10BrF2NO/c1-15-9-5(10(14)2-3-10)4-6(12)7(11)8(9)13/h4H,2-3,14H2,1H3
InChIKeyXCKBTHBJKXTFJX-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.68
Rot. Bonds2

About 1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine

1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine (PubChem CID 84811248) has the molecular formula C10H10BrF2NO and a molecular weight of 278.10 g/mol. Its IUPAC name is 1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine
PubChem CID84811248
Molecular FormulaC10H10BrF2NO
Molecular Weight278.10 g/mol
Exact Mass276.99
IUPAC Name1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1c(C2(N)CC2)cc(F)c(Br)c1F
InChIInChI=1S/C10H10BrF2NO/c1-15-9-5(10(14)2-3-10)4-6(12)7(11)8(9)13/h4H,2-3,14H2,1H3
InChIKeyXCKBTHBJKXTFJX-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4,5-difluoro-2,3-dimethoxyphenyl)cyclopropan-1-amine
CID 84792591
1-(2-bromo-3-fluoro-5-methoxyphenyl)cyclopropan-1-amine
CID 84806376
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84802916
4-(1-aminocyclopropyl)-2-fluoro-3-methoxy-6-methylphenol
CID 84781666
1-(4-bromo-2-fluoro-3-methoxy-5-methylphenyl)cyclopentan-1-amine
CID 117486628
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 117494647
1-(5-chloro-3,4-difluoro-2-methoxyphenyl)cyclohexan-1-amine
CID 117441374
4-(1-aminocyclopropyl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84806896
1-(3-bromo-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84809618
1-(3-bromo-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-amine
CID 84812944
1-(5-chloro-4-fluoro-2,3-dimethoxyphenyl)cyclobutan-1-amine
CID 117403471
1-(5-bromo-2-methoxy-3-propan-2-ylphenyl)cyclopropan-1-amine
CID 84812947

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine (CID 84811248) is 1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine is COc1c(C2(N)CC2)cc(F)c(Br)c1F.
What is the InChIKey of 1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is XCKBTHBJKXTFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO/c1-15-9-5(10(14)2-3-10)4-6(12)7(11)8(9)13/h4H,2-3,14H2,1H3.
What are the key properties of 1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine?
1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 278.10 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-difluoro-2-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84811248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).