2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline

C10H14F3N3 — CID 178058889

IUPAC2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline
SMILESCC(C)N(N)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H14F3N3/c1-6(2)16(15)9-4-3-7(5-8(9)14)10(11,12)13/h3-6H,14-15H2,1-2H3
InChIKeyCUZCVAXLSDXNRW-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.38
Rot. Bonds2

About 2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline

2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline (PubChem CID 178058889) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline
PubChem CID178058889
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline
SMILESCC(C)N(N)c1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H14F3N3/c1-6(2)16(15)9-4-3-7(5-8(9)14)10(11,12)13/h3-6H,14-15H2,1-2H3
InChIKeyCUZCVAXLSDXNRW-UHFFFAOYSA-N
XLogP2.38
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline (CID 178058889) is 2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline is CC(C)N(N)c1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline?
The InChIKey is CUZCVAXLSDXNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6(2)16(15)9-4-3-7(5-8(9)14)10(11,12)13/h3-6H,14-15H2,1-2H3.
What are the key properties of 2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline?
2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline has a molecular weight of 233.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(propan-2-yl)amino]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 178058889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).