1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine

C11H13ClFN — CID 84783126

IUPAC1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine
SMILESCc1cc(F)c(Cl)c(C2(N)CC2)c1C
InChIInChI=1S/C11H13ClFN/c1-6-5-8(13)10(12)9(7(6)2)11(14)3-4-11/h5H,3-4,14H2,1-2H3
InChIKeyUZBVUFMCFJUYOO-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.04
Rot. Bonds1

About 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine

1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine (PubChem CID 84783126) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine
PubChem CID84783126
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine
SMILESCc1cc(F)c(Cl)c(C2(N)CC2)c1C
InChIInChI=1S/C11H13ClFN/c1-6-5-8(13)10(12)9(7(6)2)11(14)3-4-11/h5H,3-4,14H2,1-2H3
InChIKeyUZBVUFMCFJUYOO-UHFFFAOYSA-N
XLogP3.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-aminocyclopropyl)-6-chloro-3,4-dimethylphenol
CID 84782034
1-(5-chloro-2-fluoro-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84783125
2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117335343
1-(5-fluoro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84780719
1-(3-fluoro-2,4,6-trimethylphenyl)cyclopropan-1-amine
CID 84772869
1-(2-fluoro-4,6-dimethylphenyl)cyclopropan-1-amine
CID 84767931
1-(4,5-difluoro-2-methylphenyl)cyclopropan-1-amine
CID 84768959
1-(2-fluoro-4,5-dimethylphenyl)cyclopropan-1-amine
CID 84767927
2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol
CID 117352045
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598
2-(1-aminocyclopropyl)-6-chloro-3,5-dimethylphenol
CID 84782027
1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine
CID 84768955

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine (CID 84783126) is 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine is Cc1cc(F)c(Cl)c(C2(N)CC2)c1C.
What is the InChIKey of 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine?
The InChIKey is UZBVUFMCFJUYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-6-5-8(13)10(12)9(7(6)2)11(14)3-4-11/h5H,3-4,14H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine?
1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine has a molecular weight of 213.68 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluoro-5,6-dimethylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84783126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).