N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide

C16H18N2O — CID 4830591

IUPACN,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide
SMILESCN(C)/C=N/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-18(2)13-17-15-8-10-16(11-9-15)19-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/b17-13+
InChIKeyJHYREHHPNAKNQM-GHRIWEEISA-N
MW254.33 g/mol
LogP3.49
Rot. Bonds5

About N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide

N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide (PubChem CID 4830591) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide
PubChem CID4830591
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide
SMILESCN(C)/C=N/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-18(2)13-17-15-8-10-16(11-9-15)19-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/b17-13+
InChIKeyJHYREHHPNAKNQM-GHRIWEEISA-N
XLogP3.49
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.49
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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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide (CID 4830591) is N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide is CN(C)/C=N/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide?
The InChIKey is JHYREHHPNAKNQM-GHRIWEEISA-N. The full InChI is InChI=1S/C16H18N2O/c1-18(2)13-17-15-8-10-16(11-9-15)19-12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3/b17-13+.
What are the key properties of N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide?
N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide has a molecular weight of 254.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(4-phenylmethoxyphenyl)methanimidamide is sourced from PubChem (CID 4830591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).