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

C8H8ClFN2 — CID 110337415

IUPACN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine
SMILESCN/N=C/c1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFN2/c1-11-12-5-6-7(9)3-2-4-8(6)10/h2-5,11H,1H3/b12-5+
InChIKeyGFWBMQHKRTWCBP-LFYBBSHMSA-N
MW186.62 g/mol
LogP2.03
Rot. Bonds2

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

N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine (PubChem CID 110337415) has the molecular formula C8H8ClFN2 and a molecular weight of 186.62 g/mol. Its IUPAC name is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine
PubChem CID110337415
Molecular FormulaC8H8ClFN2
Molecular Weight186.62 g/mol
Exact Mass186.04
IUPAC NameN-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine
SMILESCN/N=C/c1c(F)cccc1Cl
InChIInChI=1S/C8H8ClFN2/c1-11-12-5-6-7(9)3-2-4-8(6)10/h2-5,11H,1H3/b12-5+
InChIKeyGFWBMQHKRTWCBP-LFYBBSHMSA-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'}

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Related Compounds

Icerguastat
CID 9561611
Benzaldehyde, o-chloro-, 3-thiosemicarbazone
CID 6864754
2-Chlorobenzaldehyde thiosemicarbazone
CID 700518
Hydrazinecarboxaldehyde, ((2-chlorophenyl)methylene)-, (E)-
CID 9568570
N-{[(2-chlorophenyl)methylidene]amino}guanidine
CID 248404
[(E)-(2-chloro-6-fluorophenyl)methylideneamino]thiourea
CID 5711050
2-Chlorobenzaldehyde semicarbazone
CID 9566091
Benzaldehyde, 2-chloro-6-fluoro-, 3-thiosemicarbazone
CID 5559209
N-[(E)-2-(2-chlorophenyl)ethylideneamino]hexa-2,5-diyn-1-amine
CID 44562230
N-[(E)-2-(2-chlorophenyl)ethylideneamino]prop-2-yn-1-amine
CID 44562231
N-[(E)-2-(2-chloro-4-fluorophenyl)ethylideneamino]-N-methylmethanamine
CID 11206679
(2-Chloro-6-fluorophenyl)methanimine
CID 53675422

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine?
The IUPAC name of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine (CID 110337415) is N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine.
What is the SMILES notation for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine?
The canonical SMILES for N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine is CN/N=C/c1c(F)cccc1Cl.
What is the InChIKey of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine?
The InChIKey is GFWBMQHKRTWCBP-LFYBBSHMSA-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/b12-5+.
What are the key properties of N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine?
N-[(E)-(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-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]methanamine is sourced from PubChem (CID 110337415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).