1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

C15H19N3 — CID 113297487

IUPAC1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(Nc2cccc(N)c2)cc1N(C)C
InChIInChI=1S/C15H19N3/c1-11-7-8-14(10-15(11)18(2)3)17-13-6-4-5-12(16)9-13/h4-10,17H,16H2,1-3H3
InChIKeyFXMHYNMYZOYXTM-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.39
Rot. Bonds3

About 1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 113297487) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID113297487
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(Nc2cccc(N)c2)cc1N(C)C
InChIInChI=1S/C15H19N3/c1-11-7-8-14(10-15(11)18(2)3)17-13-6-4-5-12(16)9-13/h4-10,17H,16H2,1-3H3
InChIKeyFXMHYNMYZOYXTM-UHFFFAOYSA-N
XLogP3.39
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 113297487) is 1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is Cc1ccc(Nc2cccc(N)c2)cc1N(C)C.
What is the InChIKey of 1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is FXMHYNMYZOYXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-7-8-14(10-15(11)18(2)3)17-13-6-4-5-12(16)9-13/h4-10,17H,16H2,1-3H3.
What are the key properties of 1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 241.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-aminophenyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 113297487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).