1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine

C20H25NO2 — CID 12696674

IUPAC1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine
SMILESCC/C(=N\[C@H](COC)Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H25NO2/c1-4-20(17-10-12-19(23-3)13-11-17)21-18(15-22-2)14-16-8-6-5-7-9-16/h5-13,18H,4,14-15H2,1-3H3/b21-20+/t18-/m0/s1
InChIKeyUFKIDCZVDWRAAM-MKSIGINJSA-N
MW311.43 g/mol
LogP4.15
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine

1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine (PubChem CID 12696674) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine
PubChem CID12696674
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine
SMILESCC/C(=N\[C@H](COC)Cc1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C20H25NO2/c1-4-20(17-10-12-19(23-3)13-11-17)21-18(15-22-2)14-16-8-6-5-7-9-16/h5-13,18H,4,14-15H2,1-3H3/b21-20+/t18-/m0/s1
InChIKeyUFKIDCZVDWRAAM-MKSIGINJSA-N
XLogP4.15
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine (CID 12696674) is 1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine is CC/C(=N\[C@H](COC)Cc1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine?
The InChIKey is UFKIDCZVDWRAAM-MKSIGINJSA-N. The full InChI is InChI=1S/C20H25NO2/c1-4-20(17-10-12-19(23-3)13-11-17)21-18(15-22-2)14-16-8-6-5-7-9-16/h5-13,18H,4,14-15H2,1-3H3/b21-20+/t18-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine?
1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine has a molecular weight of 311.43 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]propan-1-imine is sourced from PubChem (CID 12696674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).