4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline

C16H19N3 — CID 166855419

IUPAC4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline
SMILES[H]/N=N/c1ccc(N(CC)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C16H19N3/c1-3-19(12-14-6-4-13(2)5-7-14)16-10-8-15(18-17)9-11-16/h4-11,17H,3,12H2,1-2H3/b18-17+
InChIKeyHVXZYCBWOJUMNK-ISLYRVAYSA-N
MW253.35 g/mol
LogP4.68
Rot. Bonds5

About 4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline

4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline (PubChem CID 166855419) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline
PubChem CID166855419
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline
SMILES[H]/N=N/c1ccc(N(CC)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C16H19N3/c1-3-19(12-14-6-4-13(2)5-7-14)16-10-8-15(18-17)9-11-16/h4-11,17H,3,12H2,1-2H3/b18-17+
InChIKeyHVXZYCBWOJUMNK-ISLYRVAYSA-N
XLogP4.68
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-N-(4-diazenylphenyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine
CID 89400085
4-methyl-N,N-bis[(4-methylphenyl)methyl]aniline
CID 70930364
N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
N-ethyl-4-[2-[4-[2-[4-[ethyl-[[4-(4-methylphenyl)phenyl]methyl]amino]phenyl]ethenyl]phenyl]ethenyl]-N-[[4-(4-methylphenyl)phenyl]methyl]aniline
CID 59639048
N-ethyl-4-[2-[4-[1-[4-[ethyl-[(4-methylphenyl)methyl]amino]phenyl]ethyl]phenyl]ethyl]-N-[(4-methylphenyl)methyl]aniline
CID 59805391
5-[(N-ethyl-4-methylanilino)methyl]pyridin-2-amine
CID 55046705
N-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]-N-[4-[2-[4-[2-[4-(diethylamino)phenyl]ethyl]phenyl]ethyl]phenyl]-4-methylaniline
CID 59105713
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline
CID 63456998
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
N-[(4-bromophenyl)methyl]-N-ethylaniline
CID 60683468
N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylaniline
CID 79706917
N-benzyl-4-(bromomethyl)-N-ethylaniline
CID 107079787

Frequently Asked Questions

What is the IUPAC name of 4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline?
The IUPAC name of 4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline (CID 166855419) is 4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline.
What is the SMILES notation for 4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline?
The canonical SMILES for 4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline is [H]/N=N/c1ccc(N(CC)Cc2ccc(C)cc2)cc1.
What is the InChIKey of 4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline?
The InChIKey is HVXZYCBWOJUMNK-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-19(12-14-6-4-13(2)5-7-14)16-10-8-15(18-17)9-11-16/h4-11,17H,3,12H2,1-2H3/b18-17+.
What are the key properties of 4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline?
4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline has a molecular weight of 253.35 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazenyl-N-ethyl-N-[(4-methylphenyl)methyl]aniline is sourced from PubChem (CID 166855419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).