1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine

C12H15F2N — CID 117301571

IUPAC1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
SMILESCc1c(F)ccc(C2(C(C)N)CC2)c1F
InChIInChI=1S/C12H15F2N/c1-7-10(13)4-3-9(11(7)14)12(5-6-12)8(2)15/h3-4,8H,5-6,15H2,1-2H3
InChIKeyBZJVMNUKEYTTHG-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.65
Rot. Bonds2

About 1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine

1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine (PubChem CID 117301571) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
PubChem CID117301571
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
SMILESCc1c(F)ccc(C2(C(C)N)CC2)c1F
InChIInChI=1S/C12H15F2N/c1-7-10(13)4-3-9(11(7)14)12(5-6-12)8(2)15/h3-4,8H,5-6,15H2,1-2H3
InChIKeyBZJVMNUKEYTTHG-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorophenol
CID 117303739
1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine
CID 117301565
1-[1-(4-fluoro-2-methylphenyl)cyclopropyl]ethanamine
CID 117283964
4-[1-(1-aminoethyl)cyclopropyl]-2,3-difluorobenzoic acid
CID 117354606
1-[1-(3-bromo-2-fluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117465009
1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469
1-[1-(2,6-difluoro-3-methylsulfonylphenyl)cyclopropyl]ethanamine
CID 117440298
1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine
CID 117432884
1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
CID 117330234
1-[1-(2-bromo-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117432880
1-[1-(2-chloro-6-fluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117327906
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
CID 117298840

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine (CID 117301571) is 1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine is Cc1c(F)ccc(C2(C(C)N)CC2)c1F.
What is the InChIKey of 1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is BZJVMNUKEYTTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-7-10(13)4-3-9(11(7)14)12(5-6-12)8(2)15/h3-4,8H,5-6,15H2,1-2H3.
What are the key properties of 1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine?
1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine has a molecular weight of 211.25 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117301571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).