N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline

C22H22N2O — CID 23965821

IUPACN,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
SMILESCN(C)c1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O/c1-24(2)21-12-8-18(9-13-21)16-23-20-10-14-22(15-11-20)25-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3/b23-16+
InChIKeyMGJNUQHVOKFAAZ-XQNSMLJCSA-N
MW330.43 g/mol
LogP5.08
Rot. Bonds6

About N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline

N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline (PubChem CID 23965821) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
PubChem CID23965821
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline
SMILESCN(C)c1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O/c1-24(2)21-12-8-18(9-13-21)16-23-20-10-14-22(15-11-20)25-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3/b23-16+
InChIKeyMGJNUQHVOKFAAZ-XQNSMLJCSA-N
XLogP5.08
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.08
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-[(4-phenylmethoxyphenyl)methylideneamino]phenyl]acetamide
CID 693499
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 792365
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126217743
N-[[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 4932922
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 6234024
1-[4-[(3-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126210140
propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate
CID 4504442
2-[(4-phenylmethoxyphenyl)methylideneamino]phenol
CID 561470
1-(4-ethoxyphenyl)-N-phenylmethanimine
CID 555222
1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126218574
1-(4-phenylmethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
CID 5077829

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline (CID 23965821) is N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline is CN(C)c1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline?
The InChIKey is MGJNUQHVOKFAAZ-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H22N2O/c1-24(2)21-12-8-18(9-13-21)16-23-20-10-14-22(15-11-20)25-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3/b23-16+.
What are the key properties of N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline?
N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline has a molecular weight of 330.43 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-phenylmethoxyphenyl)iminomethyl]aniline is sourced from PubChem (CID 23965821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).