2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine

C13H17ClFN — CID 107001824

IUPAC2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
SMILESCC1(C)CC1C(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFN/c1-13(2)7-9(13)12(16)6-8-10(14)4-3-5-11(8)15/h3-5,9,12H,6-7,16H2,1-2H3
InChIKeyAOBYCXWAYZUKNE-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.39
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine

2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine (PubChem CID 107001824) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
PubChem CID107001824
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
SMILESCC1(C)CC1C(N)Cc1c(F)cccc1Cl
InChIInChI=1S/C13H17ClFN/c1-13(2)7-9(13)12(16)6-8-10(14)4-3-5-11(8)15/h3-5,9,12H,6-7,16H2,1-2H3
InChIKeyAOBYCXWAYZUKNE-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 63528053
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
2-[2-chloro-2-(2,2-dimethylcyclopropyl)ethyl]-1,3-difluorobenzene
CID 107003151
2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65412373
1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 83153746
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
2-(2-chloro-6-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanamine
CID 106444534
1-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]adamantane
CID 63518312
2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 62880715
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine (CID 107001824) is 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine is CC1(C)CC1C(N)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine?
The InChIKey is AOBYCXWAYZUKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-13(2)7-9(13)12(16)6-8-10(14)4-3-5-11(8)15/h3-5,9,12H,6-7,16H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine?
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine has a molecular weight of 241.74 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine is sourced from PubChem (CID 107001824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).