1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine

C13H17F2N — CID 105483075

IUPAC1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
SMILESCc1cc(CCC2(N)CC2)cc(F)c1CF
InChIInChI=1S/C13H17F2N/c1-9-6-10(2-3-13(16)4-5-13)7-12(15)11(9)8-14/h6-7H,2-5,8,16H2,1H3
InChIKeyFVEWVYPVAIKHRK-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.03
Rot. Bonds4

About 1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine

1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine (PubChem CID 105483075) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
PubChem CID105483075
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
SMILESCc1cc(CCC2(N)CC2)cc(F)c1CF
InChIInChI=1S/C13H17F2N/c1-9-6-10(2-3-13(16)4-5-13)7-12(15)11(9)8-14/h6-7H,2-5,8,16H2,1H3
InChIKeyFVEWVYPVAIKHRK-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[2-(1-aminocyclopropyl)ethyl]-3-fluoro-2-methylphenol
CID 105463041
1-[[3-fluoro-4-(fluoromethyl)-5-methylphenyl]methyl]cyclopropan-1-ol
CID 117302979
1-[2-(3,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 83684647
1-[2-(3,5-difluoro-2,6-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105483076
1-[2-(2-fluoro-4,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460909
1-[2-(5-fluoro-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105460910
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
CID 105464943
4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol
CID 105466615
1-[(3,4-difluoro-5-methylphenyl)methyl]cyclopropan-1-amine
CID 117286906
1-[2-(2-fluoro-6-methylphenyl)ethyl]cyclopropan-1-amine
CID 105447363
1-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]propan-2-amine
CID 117288723
5-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-2-methylphenol
CID 105463039

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine (CID 105483075) is 1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine is Cc1cc(CCC2(N)CC2)cc(F)c1CF.
What is the InChIKey of 1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine?
The InChIKey is FVEWVYPVAIKHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9-6-10(2-3-13(16)4-5-13)7-12(15)11(9)8-14/h6-7H,2-5,8,16H2,1H3.
What are the key properties of 1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine?
1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105483075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).