2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine

C11H13ClFN — CID 61078474

IUPAC2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
SMILESNC(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C11H13ClFN/c12-9-2-1-3-10(13)8(9)6-11(14)7-4-5-7/h1-3,7,11H,4-6,14H2
InChIKeyWKKTVRGLIRHLDO-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.76
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine

2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine (PubChem CID 61078474) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
PubChem CID61078474
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
SMILESNC(Cc1c(F)cccc1Cl)C1CC1
InChIInChI=1S/C11H13ClFN/c12-9-2-1-3-10(13)8(9)6-11(14)7-4-5-7/h1-3,7,11H,4-6,14H2
InChIKeyWKKTVRGLIRHLDO-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylcyclohexyl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 63528053
2-(2-chloro-6-fluorophenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65412373
1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 83153746
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107001824
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
4-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]oxane
CID 63016065
2-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-1-chloro-3-fluorobenzene
CID 63518313
4-(2-chloro-6-fluorophenyl)-3-cyclopropylbutanoic acid
CID 82089060
1-cyclopropyl-2-(2,3-dichlorophenyl)ethanamine
CID 107308371
1-chloro-2-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
CID 63517970
2-(2,6-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
CID 65410709
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine (CID 61078474) is 2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine is NC(Cc1c(F)cccc1Cl)C1CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine?
The InChIKey is WKKTVRGLIRHLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-9-2-1-3-10(13)8(9)6-11(14)7-4-5-7/h1-3,7,11H,4-6,14H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine?
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine has a molecular weight of 213.68 g/mol, XLogP of 2.76, 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-cyclopropylethanamine is sourced from PubChem (CID 61078474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).