5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine

C13H16N4 — CID 101277573

IUPAC5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine
SMILESNc1ccc(Cc2cc(N)c(N)cc2N)cc1
InChIInChI=1S/C13H16N4/c14-10-3-1-8(2-4-10)5-9-6-12(16)13(17)7-11(9)15/h1-4,6-7H,5,14-17H2
InChIKeyNTZCIKWMWOTNPI-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.61
Rot. Bonds2

About 5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine

5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine (PubChem CID 101277573) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine
PubChem CID101277573
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine
SMILESNc1ccc(Cc2cc(N)c(N)cc2N)cc1
InChIInChI=1S/C13H16N4/c14-10-3-1-8(2-4-10)5-9-6-12(16)13(17)7-11(9)15/h1-4,6-7H,5,14-17H2
InChIKeyNTZCIKWMWOTNPI-UHFFFAOYSA-N
XLogP1.61
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline
CID 22315939
4-[(4-aminophenyl)methyl]aniline;methane
CID 141439099
4-[(4-aminophenyl)methyl]aniline;hydrazine
CID 70467747
4-[(4-aminophenyl)methyl]benzene-1,2-diamine
CID 22022535
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-methylphenyl]methyl]-2-methylphenyl]methyl]phenyl]methyl]aniline
CID 22920657
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-methylphenyl]methyl]phenyl]methyl]phenyl]methyl]-3-methylphenyl]methyl]aniline
CID 18976911
4-[(2,5-dichlorophenyl)methyl]aniline
CID 21272493
5-[(4-aminophenyl)methyl]-2-methylbenzene-1,3-diamine
CID 3020827
4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline
CID 22262965
4-[(2,4-dichlorophenyl)methyl]aniline
CID 116926043
2-benzyl-5-phenylbenzene-1,4-diamine
CID 141053780
4-[(4-aminophenyl)methyl]-2-bromoaniline
CID 18402809

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine?
The IUPAC name of 5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine (CID 101277573) is 5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine.
What is the SMILES notation for 5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine?
The canonical SMILES for 5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine is Nc1ccc(Cc2cc(N)c(N)cc2N)cc1.
What is the InChIKey of 5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine?
The InChIKey is NTZCIKWMWOTNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-10-3-1-8(2-4-10)5-9-6-12(16)13(17)7-11(9)15/h1-4,6-7H,5,14-17H2.
What are the key properties of 5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine?
5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine has a molecular weight of 228.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminophenyl)methyl]benzene-1,2,4-triamine is sourced from PubChem (CID 101277573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).