4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline

C15H18N4 — CID 88745974

IUPAC4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2cccc(CN)c2)cc1
InChIInChI=1S/C15H18N4/c1-19(2)15-8-6-13(7-9-15)17-18-14-5-3-4-12(10-14)11-16/h3-10H,11,16H2,1-2H3/b18-17+
InChIKeyVPKOOWBDUNCTMA-ISLYRVAYSA-N
MW254.34 g/mol
LogP3.63
Rot. Bonds4

About 4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline

4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline (PubChem CID 88745974) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline
PubChem CID88745974
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline
SMILESCN(C)c1ccc(/N=N/c2cccc(CN)c2)cc1
InChIInChI=1S/C15H18N4/c1-19(2)15-8-6-13(7-9-15)17-18-14-5-3-4-12(10-14)11-16/h3-10H,11,16H2,1-2H3/b18-17+
InChIKeyVPKOOWBDUNCTMA-ISLYRVAYSA-N
XLogP3.63
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[3-[[3-(aminomethyl)-5-methylphenyl]diazenyl]phenyl]methanamine
CID 164763783
N,N-dimethylaniline;phenylmethanamine
CID 159620878
4-(aminomethyl)-N,N-dimethylaniline;methane;dihydrochloride
CID 123134602
N,N-dimethyl-3-phenyldiazenylaniline;formamide
CID 175320488
4-[(3-ethylphenyl)diazenyl]aniline
CID 45095557
4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline
CID 9592
N,N-dimethyl-4-(phenyldiazenylmethyl)aniline
CID 91244696
2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one
CID 102448148
4-[[1-(3-aminopropyl)pyridin-1-ium-4-yl]diazenyl]-N,N-dimethylaniline bromide
CID 122538081
1-N'-(1-aminoethyl)-1-N'-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethane-1,1-diamine
CID 89354990

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline (CID 88745974) is 4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline is CN(C)c1ccc(/N=N/c2cccc(CN)c2)cc1.
What is the InChIKey of 4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline?
The InChIKey is VPKOOWBDUNCTMA-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H18N4/c1-19(2)15-8-6-13(7-9-15)17-18-14-5-3-4-12(10-14)11-16/h3-10H,11,16H2,1-2H3/b18-17+.
What are the key properties of 4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline?
4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline has a molecular weight of 254.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 88745974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).