1-(4-fluorophenyl)-N-propan-2-ylmethanimine

C10H12FN — CID 11457877

IUPAC1-(4-fluorophenyl)-N-propan-2-ylmethanimine
SMILESCC(C)/N=C/c1ccc(F)cc1
InChIInChI=1S/C10H12FN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-8H,1-2H3/b12-7+
InChIKeyJFWDDRVUOQARDU-KPKJPENVSA-N
MW165.21 g/mol
LogP2.65
Rot. Bonds2

About 1-(4-fluorophenyl)-N-propan-2-ylmethanimine

1-(4-fluorophenyl)-N-propan-2-ylmethanimine (PubChem CID 11457877) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-propan-2-ylmethanimine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-propan-2-ylmethanimine
PubChem CID11457877
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name1-(4-fluorophenyl)-N-propan-2-ylmethanimine
SMILESCC(C)/N=C/c1ccc(F)cc1
InChIInChI=1S/C10H12FN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-8H,1-2H3/b12-7+
InChIKeyJFWDDRVUOQARDU-KPKJPENVSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-N-propan-2-ylmethanimine 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

N-tert-Butyl-alpha-phenylnitrone
CID 638877
N-Benzylidenecyclohexylamine
CID 75167
3,3'-Difluorobenzaldazine
CID 6604893
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Ethanamine, N-(phenylmethylene)-
CID 111239
Benzaldehyde, p-fluoro-, oxime
CID 5372466
N-methyl-alpha-phenylnitrone
CID 819870
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
1-(3-fluorophenyl)-N-[(Z)-(3-fluorophenyl)methylideneamino]methanimine
CID 5678496
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
(NE)-N-[[2-[(E)-2-(4-fluorophenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
CID 142575111

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-propan-2-ylmethanimine?
The IUPAC name of 1-(4-fluorophenyl)-N-propan-2-ylmethanimine (CID 11457877) is 1-(4-fluorophenyl)-N-propan-2-ylmethanimine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-propan-2-ylmethanimine?
The canonical SMILES for 1-(4-fluorophenyl)-N-propan-2-ylmethanimine is CC(C)/N=C/c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-propan-2-ylmethanimine?
The InChIKey is JFWDDRVUOQARDU-KPKJPENVSA-N. The full InChI is InChI=1S/C10H12FN/c1-8(2)12-7-9-3-5-10(11)6-4-9/h3-8H,1-2H3/b12-7+.
What are the key properties of 1-(4-fluorophenyl)-N-propan-2-ylmethanimine?
1-(4-fluorophenyl)-N-propan-2-ylmethanimine has a molecular weight of 165.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-propan-2-ylmethanimine is sourced from PubChem (CID 11457877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).