N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine

C8H8ClFN2 — CID 139650040

IUPACN-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine
SMILESCNN=Cc1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFN2/c1-11-12-5-6-7(9)3-2-4-8(6)10/h2-5,11H,1H3
InChIKeyGFWBMQHKRTWCBP-UHFFFAOYSA-N
MW186.62 g/mol
LogP2.03
Rot. Bonds2

About N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine

N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine (PubChem CID 139650040) has the molecular formula C8H8ClFN2 and a molecular weight of 186.62 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine
PubChem CID139650040
Molecular FormulaC8H8ClFN2
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC NameN-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine
SMILESCNN=Cc1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFN2/c1-11-12-5-6-7(9)3-2-4-8(6)10/h2-5,11H,1H3
InChIKeyGFWBMQHKRTWCBP-UHFFFAOYSA-N
XLogP2.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.62
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine 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 N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine (CID 139650040) is N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine is CNN=Cc1c(F)cccc1Cl.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine?
The InChIKey is GFWBMQHKRTWCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN2/c1-11-12-5-6-7(9)3-2-4-8(6)10/h2-5,11H,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine?
N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine has a molecular weight of 186.62 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methylideneamino]methanamine is sourced from PubChem (CID 139650040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).