1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine

C14H20FNO2 — CID 163725874

IUPAC1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine
SMILESCCC(=N[C@H](C)OC)c1cc(F)c(OC)cc1C
InChIInChI=1S/C14H20FNO2/c1-6-13(16-10(3)17-4)11-8-12(15)14(18-5)7-9(11)2/h7-8,10H,6H2,1-5H3/t10-/m0/s1
InChIKeyKVNCSMQUUFTKFQ-JTQLQIEISA-N
MW253.32 g/mol
LogP3.33
Rot. Bonds5

About 1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine

1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine (PubChem CID 163725874) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine.

Molecular Properties

Compound Name1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine
PubChem CID163725874
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine
SMILESCCC(=N[C@H](C)OC)c1cc(F)c(OC)cc1C
InChIInChI=1S/C14H20FNO2/c1-6-13(16-10(3)17-4)11-8-12(15)14(18-5)7-9(11)2/h7-8,10H,6H2,1-5H3/t10-/m0/s1
InChIKeyKVNCSMQUUFTKFQ-JTQLQIEISA-N
XLogP3.33
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 22652
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7-Methoxy-1-methyl-6-pentoxy-3,4-dihydroisoquinoline
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1-Pyrroline, 2,3-bis(p-methoxyphenyl)-
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6-Methoxy-1-tetralone oxime
CID 5216162
6-Methoxy-3,4-dihydroisoquinoline
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3,4-Dihydroisoquinoline, 1-[3-methoxybenzyl]-6-methoxy-
CID 624494
1-Butyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11833257
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene)hydroxylamine
CID 6304077
6-[(E)-2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine
CID 25242868
Isoquinoline, 3,4-dihydro-6,7-dimethoxy-1-(2-methylbutyl)-
CID 30065
1-But-3-enyl-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 50922873

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine?
The IUPAC name of 1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine (CID 163725874) is 1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine.
What is the SMILES notation for 1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine?
The canonical SMILES for 1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine is CCC(=N[C@H](C)OC)c1cc(F)c(OC)cc1C.
What is the InChIKey of 1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine?
The InChIKey is KVNCSMQUUFTKFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20FNO2/c1-6-13(16-10(3)17-4)11-8-12(15)14(18-5)7-9(11)2/h7-8,10H,6H2,1-5H3/t10-/m0/s1.
What are the key properties of 1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine?
1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine has a molecular weight of 253.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-methoxy-2-methylphenyl)-N-[(1S)-1-methoxyethyl]propan-1-imine is sourced from PubChem (CID 163725874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).