2-(3-methoxyphenyl)-2-phenyldiazenylethanamine

C15H17N3O — CID 57113808

IUPAC2-(3-methoxyphenyl)-2-phenyldiazenylethanamine
SMILESCOc1cccc(C(CN)/N=N/c2ccccc2)c1
InChIInChI=1S/C15H17N3O/c1-19-14-9-5-6-12(10-14)15(11-16)18-17-13-7-3-2-4-8-13/h2-10,15H,11,16H2,1H3/b18-17+
InChIKeyDLGCMIFIZTVEQW-ISLYRVAYSA-N
MW255.32 g/mol
LogP3.48
Rot. Bonds5

About 2-(3-methoxyphenyl)-2-phenyldiazenylethanamine

2-(3-methoxyphenyl)-2-phenyldiazenylethanamine (PubChem CID 57113808) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-phenyldiazenylethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-phenyldiazenylethanamine
PubChem CID57113808
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(3-methoxyphenyl)-2-phenyldiazenylethanamine
SMILESCOc1cccc(C(CN)/N=N/c2ccccc2)c1
InChIInChI=1S/C15H17N3O/c1-19-14-9-5-6-12(10-14)15(11-16)18-17-13-7-3-2-4-8-13/h2-10,15H,11,16H2,1H3/b18-17+
InChIKeyDLGCMIFIZTVEQW-ISLYRVAYSA-N
XLogP3.48
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.48
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'}

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Related Compounds

1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-methoxyphenyl)-N-propan-2-ylethane-1,2-diamine
CID 62066957
2-(3-methoxyphenoxy)-2-phenylethanamine
CID 55017396
2-(3-methoxyphenyl)-2-phenylsulfanylethanamine
CID 55017885
3-fluoro-2-(3-methoxyphenyl)propan-1-amine
CID 83817226
2-(2-fluorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023293
2-(4-chlorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023304
2-benzylsulfanyl-2-(3-methoxyphenyl)ethanamine
CID 55017981
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 61420129
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567
[(3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105191567
(3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate
CID 62879024

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-phenyldiazenylethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-2-phenyldiazenylethanamine (CID 57113808) is 2-(3-methoxyphenyl)-2-phenyldiazenylethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-phenyldiazenylethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-2-phenyldiazenylethanamine is COc1cccc(C(CN)/N=N/c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-phenyldiazenylethanamine?
The InChIKey is DLGCMIFIZTVEQW-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-19-14-9-5-6-12(10-14)15(11-16)18-17-13-7-3-2-4-8-13/h2-10,15H,11,16H2,1H3/b18-17+.
What are the key properties of 2-(3-methoxyphenyl)-2-phenyldiazenylethanamine?
2-(3-methoxyphenyl)-2-phenyldiazenylethanamine has a molecular weight of 255.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-phenyldiazenylethanamine is sourced from PubChem (CID 57113808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).