N-(4-fluorophenyl)-2-methylpropan-1-imine

C10H12FN — CID 131236159

IUPACN-(4-fluorophenyl)-2-methylpropan-1-imine
SMILESCC(C)/C=N/c1ccc(F)cc1
InChIInChI=1S/C10H12FN/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-8H,1-2H3/b12-7+
InChIKeyXBJWVUYEDSKXOB-KPKJPENVSA-N
MW165.21 g/mol
LogP3.18
Rot. Bonds2

About N-(4-fluorophenyl)-2-methylpropan-1-imine

N-(4-fluorophenyl)-2-methylpropan-1-imine (PubChem CID 131236159) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methylpropan-1-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methylpropan-1-imine
PubChem CID131236159
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC NameN-(4-fluorophenyl)-2-methylpropan-1-imine
SMILESCC(C)/C=N/c1ccc(F)cc1
InChIInChI=1S/C10H12FN/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-8H,1-2H3/b12-7+
InChIKeyXBJWVUYEDSKXOB-KPKJPENVSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methylpropan-1-imine?
The IUPAC name of N-(4-fluorophenyl)-2-methylpropan-1-imine (CID 131236159) is N-(4-fluorophenyl)-2-methylpropan-1-imine.
What is the SMILES notation for N-(4-fluorophenyl)-2-methylpropan-1-imine?
The canonical SMILES for N-(4-fluorophenyl)-2-methylpropan-1-imine is CC(C)/C=N/c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-methylpropan-1-imine?
The InChIKey is XBJWVUYEDSKXOB-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12FN/c1-8(2)7-12-10-5-3-9(11)4-6-10/h3-8H,1-2H3/b12-7+.
What are the key properties of N-(4-fluorophenyl)-2-methylpropan-1-imine?
N-(4-fluorophenyl)-2-methylpropan-1-imine has a molecular weight of 165.21 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methylpropan-1-imine is sourced from PubChem (CID 131236159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).