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

C10H12FN — CID 142869606

IUPAC1-(4-fluorophenyl)-N-methylpropan-1-imine
SMILESCC/C(=N\C)c1ccc(F)cc1
InChIInChI=1S/C10H12FN/c1-3-10(12-2)8-4-6-9(11)7-5-8/h4-7H,3H2,1-2H3/b12-10+
InChIKeyQWQIPTWCLPVYSE-ZRDIBKRKSA-N
MW165.21 g/mol
LogP2.65
Rot. Bonds2

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

1-(4-fluorophenyl)-N-methylpropan-1-imine (PubChem CID 142869606) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methylpropan-1-imine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methylpropan-1-imine
PubChem CID142869606
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name1-(4-fluorophenyl)-N-methylpropan-1-imine
SMILESCC/C(=N\C)c1ccc(F)cc1
InChIInChI=1S/C10H12FN/c1-3-10(12-2)8-4-6-9(11)7-5-8/h4-7H,3H2,1-2H3/b12-10+
InChIKeyQWQIPTWCLPVYSE-ZRDIBKRKSA-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'}

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Related Compounds

1-[(Z)-1-(4-fluorophenyl)propylideneamino]-3-methylthiourea
CID 8972850
N'-[(Z)-1-(4-fluorophenyl)propylideneamino]oxamide
CID 7612689
(Z)-4-(4-fluorophenyl)-N-methylhept-3-en-2-imine
CID 123174116
3-chloro-N-[(Z)-1-(4-fluorophenyl)propylideneamino]-4-methylaniline
CID 7612601
2-(4-fluorophenyl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 7428677
(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
CID 145107690
1-fluoro-4-[(E)-1-methoxybut-1-en-2-yl]benzene
CID 166470478
N-[1-(4-methylphenyl)propylidene]hydroxylamine
CID 7174004
4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]phenol
CID 135629232
ethyl (4E)-4-(4-fluorophenyl)-4-hydroxyiminobutanoate
CID 87950444
(E)-4-(4-fluorophenyl)hex-4-en-3-one
CID 154714595
N-[(Z)-1-(4-fluorophenyl)propylideneamino]quinoline-2-carboxamide
CID 29223067

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methylpropan-1-imine?
The IUPAC name of 1-(4-fluorophenyl)-N-methylpropan-1-imine (CID 142869606) is 1-(4-fluorophenyl)-N-methylpropan-1-imine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methylpropan-1-imine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methylpropan-1-imine is CC/C(=N\C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methylpropan-1-imine?
The InChIKey is QWQIPTWCLPVYSE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H12FN/c1-3-10(12-2)8-4-6-9(11)7-5-8/h4-7H,3H2,1-2H3/b12-10+.
What are the key properties of 1-(4-fluorophenyl)-N-methylpropan-1-imine?
1-(4-fluorophenyl)-N-methylpropan-1-imine 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-methylpropan-1-imine is sourced from PubChem (CID 142869606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).