4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol

C10H13F3N2O — CID 84726902

IUPAC4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol
SMILESNCC(CNc1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)7(5-14)6-15-8-1-3-9(16)4-2-8/h1-4,7,15-16H,5-6,14H2
InChIKeyQFOBJNRBTZLYJB-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.94
Rot. Bonds4

About 4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol

4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol (PubChem CID 84726902) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol.

Molecular Properties

Compound Name4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol
PubChem CID84726902
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol
SMILESNCC(CNc1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)7(5-14)6-15-8-1-3-9(16)4-2-8/h1-4,7,15-16H,5-6,14H2
InChIKeyQFOBJNRBTZLYJB-UHFFFAOYSA-N
XLogP1.94
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol with MolForge

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

Launch Full Analysis

Related Compounds

N'-(4-chlorophenyl)-2-(trifluoromethyl)propane-1,3-diamine
CID 84729053
4-[2-(aminomethyl)-3,3,3-trifluoropropyl]phenol
CID 115031161
4-(2-methylpropylamino)phenol
CID 15847203
4-(2-aminoethylamino)phenol
CID 15538569
4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol
CID 105462116
N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 84716612
3-fluoro-4-(4-hydroxyanilino)butanoic acid
CID 105466566
2-fluoro-N'-phenylpropane-1,3-diamine
CID 105433807
4-[1-hydroxy-2-(4-phenylanilino)ethyl]phenol
CID 11551259
bis(4-(2-aminoethylamino)phenol);oxotitanium(1+);N'-phenylethane-1,2-diamine
CID 87933335
2-propan-2-yl-N'-[4-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 107441006
4-(2-anilino-1-hydroxyethyl)phenol
CID 11701381

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol?
The IUPAC name of 4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol (CID 84726902) is 4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol.
What is the SMILES notation for 4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol?
The canonical SMILES for 4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol is NCC(CNc1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol?
The InChIKey is QFOBJNRBTZLYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)7(5-14)6-15-8-1-3-9(16)4-2-8/h1-4,7,15-16H,5-6,14H2.
What are the key properties of 4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol?
4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol has a molecular weight of 234.22 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)-3,3,3-trifluoropropyl]amino]phenol is sourced from PubChem (CID 84726902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).