N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline

C20H26N2O2 — CID 110841046

IUPACN-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline
SMILESCOc1cc(C=NNc2ccc(C)c(C)c2)ccc1OCC(C)C
InChIInChI=1S/C20H26N2O2/c1-14(2)13-24-19-9-7-17(11-20(19)23-5)12-21-22-18-8-6-15(3)16(4)10-18/h6-12,14,22H,13H2,1-5H3
InChIKeyVBHLXKFRKFLOCS-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.79
Rot. Bonds7

About N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline

N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline (PubChem CID 110841046) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline
PubChem CID110841046
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline
SMILESCOc1cc(C=NNc2ccc(C)c(C)c2)ccc1OCC(C)C
InChIInChI=1S/C20H26N2O2/c1-14(2)13-24-19-9-7-17(11-20(19)23-5)12-21-22-18-8-6-15(3)16(4)10-18/h6-12,14,22H,13H2,1-5H3
InChIKeyVBHLXKFRKFLOCS-UHFFFAOYSA-N
XLogP4.79
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4-dimethylaniline
CID 110841045
N-[[3-methoxy-4-[(2,3,6-trichlorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethylaniline
CID 110840998
1-ethyl-3-[(E)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]thiourea
CID 6910783
N-[(E)-(4-ethoxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylaniline
CID 110504940
1-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9176136
N-(2,4-dimethylphenyl)-2-[4-[[(3,4-dimethylphenyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetamide
CID 110840988
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline
CID 9060725
N-[[4-methoxy-3-(2-methylpropoxy)phenyl]methyl]-3,4-dimethylaniline
CID 39455864
3-chloro-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110505280
N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]aniline
CID 110337885
N-(2,5-dimethylphenyl)-2-[(Z)-[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]oxyacetamide
CID 7699940
3,4-dimethyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110504997

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline?
The IUPAC name of N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline (CID 110841046) is N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline.
What is the SMILES notation for N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline?
The canonical SMILES for N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline is COc1cc(C=NNc2ccc(C)c(C)c2)ccc1OCC(C)C.
What is the InChIKey of N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline?
The InChIKey is VBHLXKFRKFLOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)13-24-19-9-7-17(11-20(19)23-5)12-21-22-18-8-6-15(3)16(4)10-18/h6-12,14,22H,13H2,1-5H3.
What are the key properties of N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline?
N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline has a molecular weight of 326.44 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-3,4-dimethylaniline is sourced from PubChem (CID 110841046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).