[3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine

C15H18N4 — CID 164763783

IUPAC[3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine
SMILESCc1cc(CN)cc(/N=N/c2cccc(CN)c2)c1
InChIInChI=1S/C15H18N4/c1-11-5-13(10-17)8-15(6-11)19-18-14-4-2-3-12(7-14)9-16/h2-8H,9-10,16-17H2,1H3/b19-18+
InChIKeyQHOJDXILJUDTPI-VHEBQXMUSA-N
MW254.34 g/mol
LogP3.33
Rot. Bonds4

About [3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine

[3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine (PubChem CID 164763783) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is [3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine
PubChem CID164763783
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name[3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine
SMILESCc1cc(CN)cc(/N=N/c2cccc(CN)c2)c1
InChIInChI=1S/C15H18N4/c1-11-5-13(10-17)8-15(6-11)19-18-14-4-2-3-12(7-14)9-16/h2-8H,9-10,16-17H2,1H3/b19-18+
InChIKeyQHOJDXILJUDTPI-VHEBQXMUSA-N
XLogP3.33
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
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

4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline
CID 88745974
(3-methylphenyl)methanamine;hydrochloride
CID 18670917
(3-azidophenyl)methanamine
CID 21438660
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
[3-(4-methylphenyl)phenyl]methanamine
CID 1392243
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
(3-methylphenyl)methanamine;4-methylpyridine
CID 142051199
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
[N'-[3-(aminomethyl)phenyl]carbamimidoyl]-propyltin;dihydrochloride
CID 160823981
4-[(3-ethylphenyl)diazenyl]aniline
CID 45095557
2,4,6-tris[(3-methylphenyl)diazenyl]benzene-1,3,5-triamine
CID 71410872
[3-(4-methylphenyl)sulfonylphenyl]methanamine
CID 117036589

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine?
The IUPAC name of [3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine (CID 164763783) is [3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine.
What is the SMILES notation for [3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine?
The canonical SMILES for [3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine is Cc1cc(CN)cc(/N=N/c2cccc(CN)c2)c1.
What is the InChIKey of [3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine?
The InChIKey is QHOJDXILJUDTPI-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-5-13(10-17)8-15(6-11)19-18-14-4-2-3-12(7-14)9-16/h2-8H,9-10,16-17H2,1H3/b19-18+.
What are the key properties of [3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine?
[3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine has a molecular weight of 254.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine is sourced from PubChem (CID 164763783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).