[4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite

C10H13FN2O — CID 172602321

IUPAC[4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite
SMILESCNCC/N=C/c1ccc(OF)cc1
InChIInChI=1S/C10H13FN2O/c1-12-6-7-13-8-9-2-4-10(14-11)5-3-9/h2-5,8,12H,6-7H2,1H3/b13-8+
InChIKeyMYNPJFFUGHOOSX-MDWZMJQESA-N
MW196.23 g/mol
LogP1.59
Rot. Bonds5

About [4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite

[4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite (PubChem CID 172602321) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is [4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite.

Molecular Properties

Compound Name[4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite
PubChem CID172602321
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name[4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite
SMILESCNCC/N=C/c1ccc(OF)cc1
InChIInChI=1S/C10H13FN2O/c1-12-6-7-13-8-9-2-4-10(14-11)5-3-9/h2-5,8,12H,6-7H2,1H3/b13-8+
InChIKeyMYNPJFFUGHOOSX-MDWZMJQESA-N
XLogP1.59
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxy-4-methylphenyl)methylideneamino]-N-methylethanamine
CID 121346383
3-[(3,4-dimethoxyphenyl)methylideneamino]-N-methylpropan-1-amine
CID 70090398
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
N-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
2-hydroxy-N-[2-[(4-methoxyphenyl)methylideneamino]ethyl]benzamide
CID 101344836
1-(4-methoxyphenyl)-N-prop-2-enylmethanimine
CID 11052170
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine
CID 67729195
2-[(4-fluorophenyl)methylideneamino]-N,N-dimethylethanamine
CID 102365312
1-(4-propan-2-ylphenyl)-N-[3-[(4-propan-2-ylphenyl)methylideneamino]propyl]methanimine
CID 139241248
tert-butyl N-[2-[(4-hydroxyphenyl)methylideneamino]ethyl]carbamate
CID 2795733
N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine
CID 22247245

Frequently Asked Questions

What is the IUPAC name of [4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite?
The IUPAC name of [4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite (CID 172602321) is [4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite.
What is the SMILES notation for [4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite?
The canonical SMILES for [4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite is CNCC/N=C/c1ccc(OF)cc1.
What is the InChIKey of [4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite?
The InChIKey is MYNPJFFUGHOOSX-MDWZMJQESA-N. The full InChI is InChI=1S/C10H13FN2O/c1-12-6-7-13-8-9-2-4-10(14-11)5-3-9/h2-5,8,12H,6-7H2,1H3/b13-8+.
What are the key properties of [4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite?
[4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite has a molecular weight of 196.23 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(methylamino)ethyliminomethyl]phenyl] hypofluorite is sourced from PubChem (CID 172602321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).