3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine

C9H14FN3 — CID 58118730

IUPAC3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine
SMILESCC(C)Nc1ccc(N)c(N)c1F
InChIInChI=1S/C9H14FN3/c1-5(2)13-7-4-3-6(11)9(12)8(7)10/h3-5,13H,11-12H2,1-2H3
InChIKeyBYQMINAJPDRMHP-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.81
Rot. Bonds2

About 3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine

3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine (PubChem CID 58118730) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine
PubChem CID58118730
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine
SMILESCC(C)Nc1ccc(N)c(N)c1F
InChIInChI=1S/C9H14FN3/c1-5(2)13-7-4-3-6(11)9(12)8(7)10/h3-5,13H,11-12H2,1-2H3
InChIKeyBYQMINAJPDRMHP-UHFFFAOYSA-N
XLogP1.81
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.81
H-Bond Donors ≤ 53
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 3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine?
The IUPAC name of 3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine (CID 58118730) is 3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine.
What is the SMILES notation for 3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine?
The canonical SMILES for 3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine is CC(C)Nc1ccc(N)c(N)c1F.
What is the InChIKey of 3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine?
The InChIKey is BYQMINAJPDRMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-5(2)13-7-4-3-6(11)9(12)8(7)10/h3-5,13H,11-12H2,1-2H3.
What are the key properties of 3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine?
3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine has a molecular weight of 183.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-N-propan-2-ylbenzene-1,2,4-triamine is sourced from PubChem (CID 58118730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).