1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine

C19H22FNO2 — CID 167270501

IUPAC1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine
SMILESCOCOCc1ccc(/C(C)=N/[C@@H](C)c2ccccc2)cc1F
InChIInChI=1S/C19H22FNO2/c1-14(16-7-5-4-6-8-16)21-15(2)17-9-10-18(19(20)11-17)12-23-13-22-3/h4-11,14H,12-13H2,1-3H3/b21-15+/t14-/m0/s1
InChIKeyNHHYMCSEXHYQDN-OOJJEUIESA-N
MW315.39 g/mol
LogP4.52
Rot. Bonds7

About 1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine

1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine (PubChem CID 167270501) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine
PubChem CID167270501
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine
SMILESCOCOCc1ccc(/C(C)=N/[C@@H](C)c2ccccc2)cc1F
InChIInChI=1S/C19H22FNO2/c1-14(16-7-5-4-6-8-16)21-15(2)17-9-10-18(19(20)11-17)12-23-13-22-3/h4-11,14H,12-13H2,1-3H3/b21-15+/t14-/m0/s1
InChIKeyNHHYMCSEXHYQDN-OOJJEUIESA-N
XLogP4.52
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine?
The IUPAC name of 1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine (CID 167270501) is 1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine.
What is the SMILES notation for 1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine?
The canonical SMILES for 1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine is COCOCc1ccc(/C(C)=N/[C@@H](C)c2ccccc2)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine?
The InChIKey is NHHYMCSEXHYQDN-OOJJEUIESA-N. The full InChI is InChI=1S/C19H22FNO2/c1-14(16-7-5-4-6-8-16)21-15(2)17-9-10-18(19(20)11-17)12-23-13-22-3/h4-11,14H,12-13H2,1-3H3/b21-15+/t14-/m0/s1.
What are the key properties of 1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine?
1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine has a molecular weight of 315.39 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(methoxymethoxymethyl)phenyl]-N-[(1S)-1-phenylethyl]ethanimine is sourced from PubChem (CID 167270501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).