6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine

C13H16N4 — CID 101277558

IUPAC6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine
SMILESNc1cc(N)c(N)c(Cc2ccccc2N)c1
InChIInChI=1S/C13H16N4/c14-10-6-9(13(17)12(16)7-10)5-8-3-1-2-4-11(8)15/h1-4,6-7H,5,14-17H2
InChIKeyDPOGNJAIVATLIK-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.61
Rot. Bonds2

About 6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine

6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine (PubChem CID 101277558) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine
PubChem CID101277558
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine
SMILESNc1cc(N)c(N)c(Cc2ccccc2N)c1
InChIInChI=1S/C13H16N4/c14-10-6-9(13(17)12(16)7-10)5-8-3-1-2-4-11(8)15/h1-4,6-7H,5,14-17H2
InChIKeyDPOGNJAIVATLIK-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-aminophenyl)methyl]aniline;aniline
CID 158811697
2-[[4-[(2-aminophenyl)methyl]phenyl]methyl]aniline
CID 142730612
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
2-[(2-iodophenyl)methyl]aniline
CID 69343574
2-[(2,5-diaminophenyl)methyl]phenol
CID 59646189
2-[(2-methylphenyl)methyl]benzene-1,4-diamine
CID 59646170
2-(2,3,5-triaminophenyl)acetic acid
CID 66873284
2-[(5-chlorothiophen-3-yl)methyl]aniline
CID 12750563
4-[(3-aminonaphthalen-1-yl)methyl]naphthalen-2-amine
CID 21280661
2-[(3-fluorophenyl)methyl]aniline
CID 105453525
2-(aminomethyl)aniline;hydrochloride
CID 69170371
2-ethylaniline;propane
CID 143529464

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine?
The IUPAC name of 6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine (CID 101277558) is 6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine.
What is the SMILES notation for 6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine?
The canonical SMILES for 6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine is Nc1cc(N)c(N)c(Cc2ccccc2N)c1.
What is the InChIKey of 6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine?
The InChIKey is DPOGNJAIVATLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-10-6-9(13(17)12(16)7-10)5-8-3-1-2-4-11(8)15/h1-4,6-7H,5,14-17H2.
What are the key properties of 6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine?
6-[(2-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 6-[(2-aminophenyl)methyl]benzene-1,2,4-triamine is sourced from PubChem (CID 101277558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).