1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine

C12H15F2N — CID 105464943

IUPAC1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
SMILESCc1cc(CCC2(N)CC2)c(F)cc1F
InChIInChI=1S/C12H15F2N/c1-8-6-9(11(14)7-10(8)13)2-3-12(15)4-5-12/h6-7H,2-5,15H2,1H3
InChIKeyIUWFSSMDFQIMMZ-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.70
Rot. Bonds3

About 1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine

1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine (PubChem CID 105464943) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
PubChem CID105464943
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine
SMILESCc1cc(CCC2(N)CC2)c(F)cc1F
InChIInChI=1S/C12H15F2N/c1-8-6-9(11(14)7-10(8)13)2-3-12(15)4-5-12/h6-7H,2-5,15H2,1H3
InChIKeyIUWFSSMDFQIMMZ-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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
5-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-2-methylphenol
CID 105463039
1-[2-(5-fluoro-2-methoxy-4-methylphenyl)ethyl]cyclopropan-1-amine
CID 105480784
4-[2-(1-aminocyclopropyl)ethyl]-2-fluoro-6-methylbenzene-1,3-diol
CID 105482966
1-[2-(3,5-difluoro-2,6-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105483076
1-[2-(4-chloro-2,5-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105481535
2-[2-(1-aminocyclopropyl)ethyl]-4-fluoro-6-methylphenol
CID 105463029
1-[2-(2,3-difluoro-5-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105484561
1-[2-(5-fluoro-3-methoxy-2,4-dimethylphenyl)ethyl]cyclopropan-1-amine
CID 105499390
1-[2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483075
1-[2-[5-(difluoromethyl)-2-methylphenyl]ethyl]cyclopropan-1-amine
CID 105483026

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine (CID 105464943) is 1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine is Cc1cc(CCC2(N)CC2)c(F)cc1F.
What is the InChIKey of 1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is IUWFSSMDFQIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-8-6-9(11(14)7-10(8)13)2-3-12(15)4-5-12/h6-7H,2-5,15H2,1H3.
What are the key properties of 1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine?
1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 211.25 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluoro-5-methylphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105464943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).