2-(3-fluorophenyl)-N-methylpropan-1-imine

C10H12FN — CID 142053879

IUPAC2-(3-fluorophenyl)-N-methylpropan-1-imine
SMILESC/N=C/C(C)c1cccc(F)c1
InChIInChI=1S/C10H12FN/c1-8(7-12-2)9-4-3-5-10(11)6-9/h3-8H,1-2H3/b12-7+
InChIKeyKAAXIKKIPZEONJ-KPKJPENVSA-N
MW165.21 g/mol
LogP2.63
Rot. Bonds2

About 2-(3-fluorophenyl)-N-methylpropan-1-imine

2-(3-fluorophenyl)-N-methylpropan-1-imine (PubChem CID 142053879) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-methylpropan-1-imine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-methylpropan-1-imine
PubChem CID142053879
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name2-(3-fluorophenyl)-N-methylpropan-1-imine
SMILESC/N=C/C(C)c1cccc(F)c1
InChIInChI=1S/C10H12FN/c1-8(7-12-2)9-4-3-5-10(11)6-9/h3-8H,1-2H3/b12-7+
InChIKeyKAAXIKKIPZEONJ-KPKJPENVSA-N
XLogP2.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-fluorophenyl)-N-methylpropan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methanamine, N-(phenylmethylene)-
CID 73954
Ethanamine, N-(phenylmethylene)-
CID 111239
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
N-Benzylidenepropylamine
CID 250250
(1Z)-4-(4-Fluorophenyl)-2-methylidenebutan-1-imine
CID 46937129
1-(4-fluorophenyl)-N-methylmethanimine oxide
CID 5392831
Benzeneethanamine, N-(3-methylbutylidene)-
CID 535665
Butylamine, N-benzylidene-
CID 296031
2-Phenylpropionaldehyde oxime
CID 9576158
N-methyliminopropylbenzene
CID 11506476
N-(3-Trifluoromethylbenzylidene)methylamine
CID 11019597
1-Propanamine, 2-methyl-N-(phenylmethylene)-
CID 11805067

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-methylpropan-1-imine?
The IUPAC name of 2-(3-fluorophenyl)-N-methylpropan-1-imine (CID 142053879) is 2-(3-fluorophenyl)-N-methylpropan-1-imine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-methylpropan-1-imine?
The canonical SMILES for 2-(3-fluorophenyl)-N-methylpropan-1-imine is C/N=C/C(C)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-methylpropan-1-imine?
The InChIKey is KAAXIKKIPZEONJ-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12FN/c1-8(7-12-2)9-4-3-5-10(11)6-9/h3-8H,1-2H3/b12-7+.
What are the key properties of 2-(3-fluorophenyl)-N-methylpropan-1-imine?
2-(3-fluorophenyl)-N-methylpropan-1-imine has a molecular weight of 165.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-methylpropan-1-imine is sourced from PubChem (CID 142053879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).