(1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine

C11H13ClFN — CID 29079175

IUPAC(1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine
SMILESC[C@H](N)[C@@H]1C[C@@H]1c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c1-6(14)7-5-8(7)11-9(12)3-2-4-10(11)13/h2-4,6-8H,5,14H2,1H3/t6-,7-,8-/m0/s1
InChIKeyCZKQSLLXAYNKFM-FXQIFTODSA-N
MW213.68 g/mol
LogP2.93
Rot. Bonds2

About (1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine

(1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine (PubChem CID 29079175) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine
PubChem CID29079175
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine
SMILESC[C@H](N)[C@@H]1C[C@@H]1c1c(F)cccc1Cl
InChIInChI=1S/C11H13ClFN/c1-6(14)7-5-8(7)11-9(12)3-2-4-10(11)13/h2-4,6-8H,5,14H2,1H3/t6-,7-,8-/m0/s1
InChIKeyCZKQSLLXAYNKFM-FXQIFTODSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine?
The IUPAC name of (1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine (CID 29079175) is (1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for (1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for (1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine is C[C@H](N)[C@@H]1C[C@@H]1c1c(F)cccc1Cl.
What is the InChIKey of (1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine?
The InChIKey is CZKQSLLXAYNKFM-FXQIFTODSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-6(14)7-5-8(7)11-9(12)3-2-4-10(11)13/h2-4,6-8H,5,14H2,1H3/t6-,7-,8-/m0/s1.
What are the key properties of (1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine?
(1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine has a molecular weight of 213.68 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2S)-2-(2-chloro-6-fluorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 29079175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).