5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol

C14H21F3N2O — CID 107198188

IUPAC5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)Cc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-19(7-3-2-4-8-20)10-11-5-6-12(18)9-13(11)14(15,16)17/h5-6,9,20H,2-4,7-8,10,18H2,1H3
InChIKeyBLUFZSUGKSYDIR-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.88
Rot. Bonds7

About 5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol

5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol (PubChem CID 107198188) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol.

Molecular Properties

Compound Name5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol
PubChem CID107198188
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol
SMILESCN(CCCCCO)Cc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-19(7-3-2-4-8-20)10-11-5-6-12(18)9-13(11)14(15,16)17/h5-6,9,20H,2-4,7-8,10,18H2,1H3
InChIKeyBLUFZSUGKSYDIR-UHFFFAOYSA-N
XLogP2.88
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol 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 5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol?
The IUPAC name of 5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol (CID 107198188) is 5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol.
What is the SMILES notation for 5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol?
The canonical SMILES for 5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol is CN(CCCCCO)Cc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol?
The InChIKey is BLUFZSUGKSYDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-19(7-3-2-4-8-20)10-11-5-6-12(18)9-13(11)14(15,16)17/h5-6,9,20H,2-4,7-8,10,18H2,1H3.
What are the key properties of 5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol?
5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol has a molecular weight of 290.33 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-amino-2-(trifluoromethyl)phenyl]methyl-methylamino]pentan-1-ol is sourced from PubChem (CID 107198188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).