N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine

C19H23NO2 — CID 139454386

IUPACN,1-bis(4-methoxy-3-methylphenyl)propan-2-imine
SMILESCOc1ccc(C/C(C)=N/c2ccc(OC)c(C)c2)cc1C
InChIInChI=1S/C19H23NO2/c1-13-10-16(6-8-18(13)21-4)12-15(3)20-17-7-9-19(22-5)14(2)11-17/h6-11H,12H2,1-5H3/b20-15+
InChIKeyXHFLPDBDYXTBIP-HMMYKYKNSA-N
MW297.40 g/mol
LogP4.66
Rot. Bonds5

About N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine

N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine (PubChem CID 139454386) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine.

Molecular Properties

Compound NameN,1-bis(4-methoxy-3-methylphenyl)propan-2-imine
PubChem CID139454386
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN,1-bis(4-methoxy-3-methylphenyl)propan-2-imine
SMILESCOc1ccc(C/C(C)=N/c2ccc(OC)c(C)c2)cc1C
InChIInChI=1S/C19H23NO2/c1-13-10-16(6-8-18(13)21-4)12-15(3)20-17-7-9-19(22-5)14(2)11-17/h6-11H,12H2,1-5H3/b20-15+
InChIKeyXHFLPDBDYXTBIP-HMMYKYKNSA-N
XLogP4.66
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.66
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

N-(4-methoxy-3-methylphenyl)propan-2-imine
CID 139454493
2-(4-methoxy-3-methylphenyl)guanidine
CID 62380394
1-chloro-3-(4-methoxy-3-methylphenyl)propan-2-one
CID 134627536
methyl 2-(4-methoxy-3-methylphenyl)ethanimidate
CID 82281624
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]urea
CID 2732243
4-[(2E)-2-hydroxyiminopropyl]-2-methoxyphenol
CID 11321502
2-(4-methoxy-3-methylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 100684189
N-(3,5-dichlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848483
2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
CID 110834445
N-(4-chlorophenyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848482

Frequently Asked Questions

What is the IUPAC name of N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine?
The IUPAC name of N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine (CID 139454386) is N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine.
What is the SMILES notation for N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine?
The canonical SMILES for N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine is COc1ccc(C/C(C)=N/c2ccc(OC)c(C)c2)cc1C.
What is the InChIKey of N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine?
The InChIKey is XHFLPDBDYXTBIP-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-10-16(6-8-18(13)21-4)12-15(3)20-17-7-9-19(22-5)14(2)11-17/h6-11H,12H2,1-5H3/b20-15+.
What are the key properties of N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine?
N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine has a molecular weight of 297.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(4-methoxy-3-methylphenyl)propan-2-imine is sourced from PubChem (CID 139454386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).