1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine

C13H17ClFN — CID 117356652

IUPAC1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine
SMILESCc1cc(Cl)c(F)c(C2(C(C)N)CC2)c1C
InChIInChI=1S/C13H17ClFN/c1-7-6-10(14)12(15)11(8(7)2)13(4-5-13)9(3)16/h6,9H,4-5,16H2,1-3H3
InChIKeyDINKGDXUPXZDQE-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.47
Rot. Bonds2

About 1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine

1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine (PubChem CID 117356652) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine
PubChem CID117356652
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine
SMILESCc1cc(Cl)c(F)c(C2(C(C)N)CC2)c1C
InChIInChI=1S/C13H17ClFN/c1-7-6-10(14)12(15)11(8(7)2)13(4-5-13)9(3)16/h6,9H,4-5,16H2,1-3H3
InChIKeyDINKGDXUPXZDQE-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117327906
1-[1-(6-bromo-2-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432883
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
CID 117331543
1-[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409100
2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol
CID 117293806
5-[1-(1-aminoethyl)cyclopropyl]-2,3-dimethylphenol
CID 117293797
6-[1-(1-aminoethyl)cyclopropyl]-2-chloro-3,4-dimethylphenol
CID 117352069
1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine
CID 117386300
1-[1-(4-chloro-3-fluorophenyl)cyclopropyl]ethanamine
CID 83689421
1-[1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409102
1-[3-(2-chloro-5-fluoro-4-methylphenyl)oxetan-3-yl]ethanamine
CID 116869436
1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine (CID 117356652) is 1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine is Cc1cc(Cl)c(F)c(C2(C(C)N)CC2)c1C.
What is the InChIKey of 1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine?
The InChIKey is DINKGDXUPXZDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-7-6-10(14)12(15)11(8(7)2)13(4-5-13)9(3)16/h6,9H,4-5,16H2,1-3H3.
What are the key properties of 1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine?
1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine has a molecular weight of 241.74 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117356652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).