N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide

C22H22N2O — CID 10980431

IUPACN,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide
SMILESCOc1cccc(/N=C/N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H22N2O/c1-25-22-14-8-13-21(15-22)23-18-24(16-19-9-4-2-5-10-19)17-20-11-6-3-7-12-20/h2-15,18H,16-17H2,1H3/b23-18+
InChIKeyHVGMVXNNPHGRDW-PTGBLXJZSA-N
MW330.43 g/mol
LogP5.06
Rot. Bonds7

About N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide

N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide (PubChem CID 10980431) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide.

Molecular Properties

Compound NameN,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide
PubChem CID10980431
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC NameN,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide
SMILESCOc1cccc(/N=C/N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H22N2O/c1-25-22-14-8-13-21(15-22)23-18-24(16-19-9-4-2-5-10-19)17-20-11-6-3-7-12-20/h2-15,18H,16-17H2,1H3/b23-18+
InChIKeyHVGMVXNNPHGRDW-PTGBLXJZSA-N
XLogP5.06
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 70971804
2-ethyl-N-(3-methoxyphenyl)butan-1-imine
CID 134609514
N-benzyl-2-bromo-N-[(3-methoxyphenyl)methyl]ethanamine
CID 80679001
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
(3-methoxyphenyl)-[(3-methoxyphenyl)methyl]diazene
CID 157276293
1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
N-(3-methoxyphenyl)-1-(3-methylphenyl)methanimine
CID 86728778
N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide
CID 108519571
N-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)methanimine
CID 86728650
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
2-benzyl-3-(3-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 141033426
dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid
CID 90758333

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide?
The IUPAC name of N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide (CID 10980431) is N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide.
What is the SMILES notation for N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide?
The canonical SMILES for N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide is COc1cccc(/N=C/N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide?
The InChIKey is HVGMVXNNPHGRDW-PTGBLXJZSA-N. The full InChI is InChI=1S/C22H22N2O/c1-25-22-14-8-13-21(15-22)23-18-24(16-19-9-4-2-5-10-19)17-20-11-6-3-7-12-20/h2-15,18H,16-17H2,1H3/b23-18+.
What are the key properties of N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide?
N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide has a molecular weight of 330.43 g/mol, XLogP of 5.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-N'-(3-methoxyphenyl)methanimidamide is sourced from PubChem (CID 10980431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).