1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine

C12H15F2N — CID 117301565

IUPAC1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine
SMILESCc1cc(F)c(F)c(C2(C(C)N)CC2)c1
InChIInChI=1S/C12H15F2N/c1-7-5-9(11(14)10(13)6-7)12(3-4-12)8(2)15/h5-6,8H,3-4,15H2,1-2H3
InChIKeyHDDBRSKAHQTLIT-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.65
Rot. Bonds2

About 1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine

1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine (PubChem CID 117301565) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine
PubChem CID117301565
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine
SMILESCc1cc(F)c(F)c(C2(C(C)N)CC2)c1
InChIInChI=1S/C12H15F2N/c1-7-5-9(11(14)10(13)6-7)12(3-4-12)8(2)15/h5-6,8H,3-4,15H2,1-2H3
InChIKeyHDDBRSKAHQTLIT-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

1-[1-(2-bromo-3-fluoro-5-methylphenyl)cyclopropyl]ethanamine
CID 117432884
1-[1-[2,3-difluoro-5-(methoxymethyl)phenyl]cyclopropyl]ethanamine
CID 117355034
1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117301571
1-[1-(3,4,5-trifluoro-2-methoxyphenyl)cyclopropyl]ethanamine
CID 117364491
5-[1-(1-aminoethyl)cyclopropyl]-4-fluoro-2-methylphenol
CID 117298840
1-[1-(3,5-dimethylphenyl)cyclopropyl]ethanamine
CID 131471469
5-[1-(1-aminoethyl)cyclopropyl]-2-fluoro-4-methylbenzoic acid
CID 117346746
1-[1-(6-fluoro-2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanamine
CID 117312920
1-[1-(4-fluoro-2-methylphenyl)cyclopropyl]ethanamine
CID 117283964
1-[1-(2-bromo-3,5-difluorophenyl)cyclopropyl]ethanamine
CID 117441728
1-[1-(5-chloro-2,3-difluoro-4-methoxyphenyl)cyclopropyl]ethanamine
CID 117409102
1-[1-(3-tert-butyl-2-methoxy-5-methylphenyl)cyclopropyl]ethanamine
CID 117408617

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine?
The IUPAC name of 1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine (CID 117301565) is 1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine is Cc1cc(F)c(F)c(C2(C(C)N)CC2)c1.
What is the InChIKey of 1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine?
The InChIKey is HDDBRSKAHQTLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-7-5-9(11(14)10(13)6-7)12(3-4-12)8(2)15/h5-6,8H,3-4,15H2,1-2H3.
What are the key properties of 1-[1-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine?
1-[1-(2,3-difluoro-5-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-(2,3-difluoro-5-methylphenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 117301565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).