[1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol

C12H15F3N2O — CID 112624050

IUPAC[1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol
SMILESNc1ccc(N2CCC(CO)C2)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-5-9(16)1-2-11(10)17-4-3-8(6-17)7-18/h1-2,5,8,18H,3-4,6-7,16H2
InChIKeyMJALCVUFWJOQKZ-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.11
Rot. Bonds2

About [1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol

[1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol (PubChem CID 112624050) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is [1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol
PubChem CID112624050
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name[1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol
SMILESNc1ccc(N2CCC(CO)C2)c(C(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O/c13-12(14,15)10-5-9(16)1-2-11(10)17-4-3-8(6-17)7-18/h1-2,5,8,18H,3-4,6-7,16H2
InChIKeyMJALCVUFWJOQKZ-UHFFFAOYSA-N
XLogP2.11
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol 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

1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 53408258
4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline
CID 61421048
2-[1-[4-amino-2-(trifluoromethyl)phenyl]piperidin-4-yl]oxyethanol
CID 82011418
[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
CID 43133145
4-(4-cyclopropylpiperazin-1-yl)-3-(trifluoromethyl)aniline
CID 61440415
2-[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 114796888
tert-butyl N-[(3R)-1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]carbamate
CID 141496913
4-piperazin-1-yl-3-(trifluoromethyl)aniline;hydrochloride
CID 71539599
2-[1-(4-amino-2-bromophenyl)pyrrolidin-3-yl]ethanol
CID 114796896
2-[1-(4-amino-2-iodophenyl)pyrrolidin-3-yl]ethanol
CID 114796849
2-[4-[4-amino-2-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]ethanol
CID 107213915
[1-[2-fluoro-4-(hydroxymethyl)phenyl]pyrrolidin-3-yl]methanol
CID 112626287

Frequently Asked Questions

What is the IUPAC name of [1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol (CID 112624050) is [1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol is Nc1ccc(N2CCC(CO)C2)c(C(F)(F)F)c1.
What is the InChIKey of [1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol?
The InChIKey is MJALCVUFWJOQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-12(14,15)10-5-9(16)1-2-11(10)17-4-3-8(6-17)7-18/h1-2,5,8,18H,3-4,6-7,16H2.
What are the key properties of [1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol?
[1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol has a molecular weight of 260.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 112624050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).