N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine

C10H13FN2 — CID 89205945

IUPACN-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine
SMILESCN/N=C(\C)c1cc(F)ccc1C
InChIInChI=1S/C10H13FN2/c1-7-4-5-9(11)6-10(7)8(2)13-12-3/h4-6,12H,1-3H3/b13-8+
InChIKeyLPTNVBJJIQYAEU-MDWZMJQESA-N
MW180.23 g/mol
LogP2.08
Rot. Bonds2

About N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine

N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine (PubChem CID 89205945) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine
PubChem CID89205945
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC NameN-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine
SMILESCN/N=C(\C)c1cc(F)ccc1C
InChIInChI=1S/C10H13FN2/c1-7-4-5-9(11)6-10(7)8(2)13-12-3/h4-6,12H,1-3H3/b13-8+
InChIKeyLPTNVBJJIQYAEU-MDWZMJQESA-N
XLogP2.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.08
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine?
The IUPAC name of N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine (CID 89205945) is N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine.
What is the SMILES notation for N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine?
The canonical SMILES for N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine is CN/N=C(\C)c1cc(F)ccc1C.
What is the InChIKey of N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine?
The InChIKey is LPTNVBJJIQYAEU-MDWZMJQESA-N. The full InChI is InChI=1S/C10H13FN2/c1-7-4-5-9(11)6-10(7)8(2)13-12-3/h4-6,12H,1-3H3/b13-8+.
What are the key properties of N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine?
N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine has a molecular weight of 180.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(5-fluoro-2-methylphenyl)ethylideneamino]methanamine is sourced from PubChem (CID 89205945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).