N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine

C25H25NO3 — CID 167482840

IUPACN-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine
SMILESCOCCO[C@H]1COc2ccccc2[C@@H]1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-27-16-17-28-23-18-29-22-15-9-8-14-21(22)25(23)26-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,23,25H,16-18H2,1H3/t23-,25-/m0/s1
InChIKeyRSOAOWGMDJGJTF-ZCYQVOJMSA-N
MW387.48 g/mol
LogP4.69
Rot. Bonds7

About N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine

N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine (PubChem CID 167482840) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine
PubChem CID167482840
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC NameN-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine
SMILESCOCCO[C@H]1COc2ccccc2[C@@H]1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c1-27-16-17-28-23-18-29-22-15-9-8-14-21(22)25(23)26-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,23,25H,16-18H2,1H3/t23-,25-/m0/s1
InChIKeyRSOAOWGMDJGJTF-ZCYQVOJMSA-N
XLogP4.69
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine (CID 167482840) is N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine is COCCO[C@H]1COc2ccccc2[C@@H]1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine?
The InChIKey is RSOAOWGMDJGJTF-ZCYQVOJMSA-N. The full InChI is InChI=1S/C25H25NO3/c1-27-16-17-28-23-18-29-22-15-9-8-14-21(22)25(23)26-24(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,23,25H,16-18H2,1H3/t23-,25-/m0/s1.
What are the key properties of N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine?
N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine has a molecular weight of 387.48 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-(2-methoxyethoxy)-3,4-dihydro-2H-chromen-4-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 167482840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).