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

C12H15F2N — CID 105464935

IUPAC1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine
SMILESCc1ccccc1C(F)(F)CC1(N)CC1
InChIInChI=1S/C12H15F2N/c1-9-4-2-3-5-10(9)12(13,14)8-11(15)6-7-11/h2-5H,6-8,15H2,1H3
InChIKeyZJLDCQVPOHCGNL-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.97
Rot. Bonds3

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

1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine (PubChem CID 105464935) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine
PubChem CID105464935
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine
SMILESCc1ccccc1C(F)(F)CC1(N)CC1
InChIInChI=1S/C12H15F2N/c1-9-4-2-3-5-10(9)12(13,14)8-11(15)6-7-11/h2-5H,6-8,15H2,1H3
InChIKeyZJLDCQVPOHCGNL-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine (CID 105464935) is 1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine is Cc1ccccc1C(F)(F)CC1(N)CC1.
What is the InChIKey of 1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine?
The InChIKey is ZJLDCQVPOHCGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-9-4-2-3-5-10(9)12(13,14)8-11(15)6-7-11/h2-5H,6-8,15H2,1H3.
What are the key properties of 1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine?
1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine has a molecular weight of 211.26 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-2-(2-methylphenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 105464935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).