N-(methoxymethyl)-3-phenyldiazenylaniline

C14H15N3O — CID 23618912

IUPACN-(methoxymethyl)-3-phenyldiazenylaniline
SMILESCOCNc1cccc(/N=N/c2ccccc2)c1
InChIInChI=1S/C14H15N3O/c1-18-11-15-13-8-5-9-14(10-13)17-16-12-6-3-2-4-7-12/h2-10,15H,11H2,1H3/b17-16+
InChIKeyUMWXTWKYPMJPCU-WUKNDPDISA-N
MW241.29 g/mol
LogP4.12
Rot. Bonds5

About N-(methoxymethyl)-3-phenyldiazenylaniline

N-(methoxymethyl)-3-phenyldiazenylaniline (PubChem CID 23618912) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(methoxymethyl)-3-phenyldiazenylaniline.

Molecular Properties

Compound NameN-(methoxymethyl)-3-phenyldiazenylaniline
PubChem CID23618912
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(methoxymethyl)-3-phenyldiazenylaniline
SMILESCOCNc1cccc(/N=N/c2ccccc2)c1
InChIInChI=1S/C14H15N3O/c1-18-11-15-13-8-5-9-14(10-13)17-16-12-6-3-2-4-7-12/h2-10,15H,11H2,1H3/b17-16+
InChIKeyUMWXTWKYPMJPCU-WUKNDPDISA-N
XLogP4.12
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-[[3-(ethylamino)phenyl]diazenyl]aniline
CID 3777935
(3-tert-butylphenyl)-phenyldiazene
CID 141467290
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-(silyloxymethyl)aniline
CID 123201342
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
diphenyldiazene;hydrofluoride
CID 174857584
N-benzyl-3-(benzylideneamino)aniline
CID 102345813
[3-[(4-anilinophenyl)diazenyl]phenyl] sulfite
CID 57041288
bis(1,2-dimethoxyethane);bis(diphenylazanide);bis(diphenyldiazene);samarium
CID 11182433
N-[(2-methoxyphenoxy)methyl]-3-methylaniline
CID 20614867
bis(diphenyldiazene);uranium;vanadium
CID 158886927
anilinomethyl nitrate
CID 87550626

Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-3-phenyldiazenylaniline?
The IUPAC name of N-(methoxymethyl)-3-phenyldiazenylaniline (CID 23618912) is N-(methoxymethyl)-3-phenyldiazenylaniline.
What is the SMILES notation for N-(methoxymethyl)-3-phenyldiazenylaniline?
The canonical SMILES for N-(methoxymethyl)-3-phenyldiazenylaniline is COCNc1cccc(/N=N/c2ccccc2)c1.
What is the InChIKey of N-(methoxymethyl)-3-phenyldiazenylaniline?
The InChIKey is UMWXTWKYPMJPCU-WUKNDPDISA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-11-15-13-8-5-9-14(10-13)17-16-12-6-3-2-4-7-12/h2-10,15H,11H2,1H3/b17-16+.
What are the key properties of N-(methoxymethyl)-3-phenyldiazenylaniline?
N-(methoxymethyl)-3-phenyldiazenylaniline has a molecular weight of 241.29 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-3-phenyldiazenylaniline is sourced from PubChem (CID 23618912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).