1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine

C12H15ClFN — CID 117327906

IUPAC1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
SMILESCc1ccc(F)c(C2(C(C)N)CC2)c1Cl
InChIInChI=1S/C12H15ClFN/c1-7-3-4-9(14)10(11(7)13)12(5-6-12)8(2)15/h3-4,8H,5-6,15H2,1-2H3
InChIKeyJKXIRCRTZPXSHA-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.17
Rot. Bonds2

About 1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine

1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine (PubChem CID 117327906) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
PubChem CID117327906
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
SMILESCc1ccc(F)c(C2(C(C)N)CC2)c1Cl
InChIInChI=1S/C12H15ClFN/c1-7-3-4-9(14)10(11(7)13)12(5-6-12)8(2)15/h3-4,8H,5-6,15H2,1-2H3
InChIKeyJKXIRCRTZPXSHA-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880
2-[1-(1-aminoethyl)cyclopropyl]-6-chloro-3-fluorophenol
CID 117331543
1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropan-1-ol
CID 117289591
1-[1-(6-bromo-2-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432883
1-[1-(3-chloro-2-fluoro-5,6-dimethylphenyl)cyclopropyl]ethanamine
CID 117356652
1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]ethanamine
CID 117346753
1-[1-(5-fluoro-1,3-benzodioxol-4-yl)cyclopropyl]ethanamine
CID 117319414
1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine
CID 117440298
1-[1-(3-chloro-2,6-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409100
2-[1-(1-aminoethyl)cyclopropyl]-3,4-dimethylphenol
CID 117293806
1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117301571
1-[1-(4-fluoro-2,3-dimethoxy-6-methylphenyl)cyclopropyl]ethanamine
CID 117386300

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine (CID 117327906) is 1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine is Cc1ccc(F)c(C2(C(C)N)CC2)c1Cl.
What is the InChIKey of 1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is JKXIRCRTZPXSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-7-3-4-9(14)10(11(7)13)12(5-6-12)8(2)15/h3-4,8H,5-6,15H2,1-2H3.
What are the key properties of 1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine?
1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine has a molecular weight of 227.71 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117327906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).