4-(trideuteriomethyl)benzene-1,3-diamine

C7H10N2 — CID 6913181

IUPAC4-(trideuteriomethyl)benzene-1,3-diamine
SMILES[2H]C([2H])([2H])c1ccc(N)cc1N
InChIInChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3/i1D3
InChIKeyVOZKAJLKRJDJLL-FIBGUPNXSA-N
MW125.19 g/mol
LogP1.16
Rot. Bonds1

About 4-(trideuteriomethyl)benzene-1,3-diamine

4-(trideuteriomethyl)benzene-1,3-diamine (PubChem CID 6913181) has the molecular formula C7H10N2 and a molecular weight of 125.19 g/mol. Its IUPAC name is 4-(trideuteriomethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name4-(trideuteriomethyl)benzene-1,3-diamine
PubChem CID6913181
Molecular FormulaC7H10N2
Molecular Weight125.19 g/mol
Exact Mass125.10
IUPAC Name4-(trideuteriomethyl)benzene-1,3-diamine
SMILES[2H]C([2H])([2H])c1ccc(N)cc1N
InChIInChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3/i1D3
InChIKeyVOZKAJLKRJDJLL-FIBGUPNXSA-N
XLogP1.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(trideuteriomethyl)benzene-1,3-diamine?
The IUPAC name of 4-(trideuteriomethyl)benzene-1,3-diamine (CID 6913181) is 4-(trideuteriomethyl)benzene-1,3-diamine.
What is the SMILES notation for 4-(trideuteriomethyl)benzene-1,3-diamine?
The canonical SMILES for 4-(trideuteriomethyl)benzene-1,3-diamine is [2H]C([2H])([2H])c1ccc(N)cc1N.
What is the InChIKey of 4-(trideuteriomethyl)benzene-1,3-diamine?
The InChIKey is VOZKAJLKRJDJLL-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3/i1D3.
What are the key properties of 4-(trideuteriomethyl)benzene-1,3-diamine?
4-(trideuteriomethyl)benzene-1,3-diamine has a molecular weight of 125.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trideuteriomethyl)benzene-1,3-diamine is sourced from PubChem (CID 6913181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).