1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine

C12H15ClFNO — CID 86669069

IUPAC1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine
SMILESCONC(C)[C@@H]1C[C@H]1c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,7-9,15H,6H2,1-2H3/t7?,8-,9+/m0/s1
InChIKeyHLZSPMHLFLXURM-SXNZSPLWSA-N
MW243.71 g/mol
LogP3.12
Rot. Bonds4

About 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine

1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine (PubChem CID 86669069) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine.

Molecular Properties

Compound Name1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine
PubChem CID86669069
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine
SMILESCONC(C)[C@@H]1C[C@H]1c1c(F)cccc1Cl
InChIInChI=1S/C12H15ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,7-9,15H,6H2,1-2H3/t7?,8-,9+/m0/s1
InChIKeyHLZSPMHLFLXURM-SXNZSPLWSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,6R)-6-(2-chlorophenyl)cyclohex-3-en-1-amine
CID 16049437
trans-2-(4-Chlorophenyl)-2-fluorocyclopropanamine
CID 11241513
cis-2-(4-Chlorophenyl)-2-fluorocyclopropanamine
CID 11390419
[(1S,2S)-2-(4-chloro-2-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572163
[(1S,2S)-2-(2-chloro-4-fluorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572165
[(1S,2S)-2-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine;hydrochloride
CID 44572206
[(1S,2S)-2-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572748
trans-(1S,2R)-2-(4-chloro-2,5-difluorophenyl)cyclopropan-1-amine
CID 168269274
cis-(1R,2R)-2-(4-chloro-2,5-difluorophenyl)cyclopropan-1-amine
CID 168285462
2-(4-Chlorophenyl)-2-fluoro-cyclopropylamine
CID 44398212
1-(4-Chlorophenyl)-N-methoxypropan-2-amine--hydrogen chloride (1/1)
CID 24841286
rac-(1R,2S)-2-(2-chlorophenyl)cyclopropan-1-amine hydrochloride
CID 90020196

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine?
The IUPAC name of 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine (CID 86669069) is 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine.
What is the SMILES notation for 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine?
The canonical SMILES for 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine is CONC(C)[C@@H]1C[C@H]1c1c(F)cccc1Cl.
What is the InChIKey of 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine?
The InChIKey is HLZSPMHLFLXURM-SXNZSPLWSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,7-9,15H,6H2,1-2H3/t7?,8-,9+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine?
1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine has a molecular weight of 243.71 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine is sourced from PubChem (CID 86669069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).