1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine

C12H13ClFNO — CID 123716324

IUPAC1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine
SMILESCONC(C)=C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,9,15H,6H2,1-2H3
InChIKeyXVKONFIUXNPCQM-UHFFFAOYSA-N
MW241.69 g/mol
LogP3.39
Rot. Bonds3

About 1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine

1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine (PubChem CID 123716324) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine
PubChem CID123716324
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine
SMILESCONC(C)=C1CC1c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,9,15H,6H2,1-2H3
InChIKeyXVKONFIUXNPCQM-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine 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

1-(2-chloro-4-fluorophenyl)-N-methoxyethenamine
CID 57087609
trans N-{1-[2-(2-chloro-6-fluoro-phenyl)-cyclopropyl]-ethyl}-O-methyl-hydroxylamine
CID 86669069
trans 1-[2-(2-chloro-6-fluoro-phenyl)-cyclopropyl]-ethanone O-methyl-oxime
CID 86669070
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine
CID 87263020
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanamine
CID 88851553
(E)-1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-methoxyethanimine
CID 88855602
4-(4-chlorophenyl)-1-fluoro-N-methoxybut-2-en-2-amine
CID 123330705
3-fluoro-N-methoxy-1-(2,4,6-trichlorophenyl)prop-1-en-2-amine
CID 123338382
1-(2,4-dichlorophenyl)-3-fluoro-N-methoxyprop-1-en-2-amine
CID 123523452
4-(2-Chloro-6-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine
CID 141569726
(E)-1-(2-chloro-4-fluorophenyl)prop-1-en-2-amine
CID 144573997
(E)-4-(2,6-dichloro-3-fluorophenyl)-3-methylpent-2-en-2-amine
CID 155181005

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine (CID 123716324) is 1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine is CONC(C)=C1CC1c1c(F)cccc1Cl.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine?
The InChIKey is XVKONFIUXNPCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-7(15-16-2)8-6-9(8)12-10(13)4-3-5-11(12)14/h3-5,9,15H,6H2,1-2H3.
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine?
1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine has a molecular weight of 241.69 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)cyclopropylidene]-N-methoxyethanamine is sourced from PubChem (CID 123716324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).