N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine

C9H11FN2 — CID 3828898

IUPACN-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine
SMILESCN(C)N=Cc1ccc(F)cc1
InChIInChI=1S/C9H11FN2/c1-12(2)11-7-8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKeySGEZSDHAEOPFJW-UHFFFAOYSA-N
MW166.20 g/mol
LogP1.72
Rot. Bonds2

About N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine

N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine (PubChem CID 3828898) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine
PubChem CID3828898
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine
SMILESCN(C)N=Cc1ccc(F)cc1
InChIInChI=1S/C9H11FN2/c1-12(2)11-7-8-3-5-9(10)6-4-8/h3-7H,1-2H3
InChIKeySGEZSDHAEOPFJW-UHFFFAOYSA-N
XLogP1.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
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

Benzaldehyde azine
CID 5324610
Benzalazine
CID 92130
3,3'-Difluorobenzaldazine
CID 6604893
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Ethanamine, N-(phenylmethylene)-
CID 111239
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
(E)-N-(2,6-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)methanimine
CID 9642770
1-(3-fluorophenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]methanimine
CID 5678496
N-Benzylidenepropylamine
CID 250250
(1E,2E)-bis(4-fluorobenzylidene)hydrazine
CID 6867776
Acetophenone, dimethylhydrazone
CID 6172446

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine (CID 3828898) is N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine is CN(C)N=Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine?
The InChIKey is SGEZSDHAEOPFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-12(2)11-7-8-3-5-9(10)6-4-8/h3-7H,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine?
N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine has a molecular weight of 166.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-N-methylmethanamine is sourced from PubChem (CID 3828898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).