N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine

C21H27NO2 — CID 126016158

IUPACN-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
SMILESCC[C@@H](C)c1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-6-16(4)17-10-12-19(13-11-17)22-14-18-8-7-9-20(23-5)21(18)24-15(2)3/h7-16H,6H2,1-5H3/b22-14+/t16-/m1/s1
InChIKeyAYBPQBVIKXOTAE-CAUNFOBBSA-N
MW325.45 g/mol
LogP5.75
Rot. Bonds7

About N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine

N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine (PubChem CID 126016158) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
PubChem CID126016158
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine
SMILESCC[C@@H](C)c1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1
InChIInChI=1S/C21H27NO2/c1-6-16(4)17-10-12-19(13-11-17)22-14-18-8-7-9-20(23-5)21(18)24-15(2)3/h7-16H,6H2,1-5H3/b22-14+/t16-/m1/s1
InChIKeyAYBPQBVIKXOTAE-CAUNFOBBSA-N
XLogP5.75
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine?
The IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine (CID 126016158) is N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine is CC[C@@H](C)c1ccc(/N=C/c2cccc(OC)c2OC(C)C)cc1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine?
The InChIKey is AYBPQBVIKXOTAE-CAUNFOBBSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-16(4)17-10-12-19(13-11-17)22-14-18-8-7-9-20(23-5)21(18)24-15(2)3/h7-16H,6H2,1-5H3/b22-14+/t16-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine?
N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine has a molecular weight of 325.45 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]phenyl]-1-(3-methoxy-2-propan-2-yloxyphenyl)methanimine is sourced from PubChem (CID 126016158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).