2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol

C16H17F3N2O — CID 58049582

IUPAC2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cc(Cc2ccc(N)cc2)ccc1N)C(F)(F)F
InChIInChI=1S/C16H17F3N2O/c1-15(22,16(17,18)19)13-9-11(4-7-14(13)21)8-10-2-5-12(20)6-3-10/h2-7,9,22H,8,20-21H2,1H3
InChIKeyPJWHBUDOSRBQAJ-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.21
Rot. Bonds3

About 2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol

2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 58049582) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID58049582
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cc(Cc2ccc(N)cc2)ccc1N)C(F)(F)F
InChIInChI=1S/C16H17F3N2O/c1-15(22,16(17,18)19)13-9-11(4-7-14(13)21)8-10-2-5-12(20)6-3-10/h2-7,9,22H,8,20-21H2,1H3
InChIKeyPJWHBUDOSRBQAJ-UHFFFAOYSA-N
XLogP3.21
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol 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

Tris(p-aminophenyl)methanol
CID 10084
2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
(4-Amino-3'-chloro-biphenyl-3-yl)-dimethyl-methanol
CID 15908132
2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 320085
1-(2-Aminophenyl)-1,2-diphenylethanol
CID 2803358
2-(4-Aminophenyl)propan-2-ol
CID 9543261
2-Amino-5-methylbenzyl alcohol
CID 576450
4,4'-Diaminotrityl alcohol
CID 92637
2-(2-Aminophenyl)propan-2-ol
CID 253527
(2-Aminophenyl)(diphenyl)methanol
CID 2749076
3-(2-Aminophenyl)pentan-3-ol
CID 10607441
2-(4-Amino-3,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 1275346

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol (CID 58049582) is 2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1cc(Cc2ccc(N)cc2)ccc1N)C(F)(F)F.
What is the InChIKey of 2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is PJWHBUDOSRBQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c1-15(22,16(17,18)19)13-9-11(4-7-14(13)21)8-10-2-5-12(20)6-3-10/h2-7,9,22H,8,20-21H2,1H3.
What are the key properties of 2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol?
2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 310.32 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-[(4-aminophenyl)methyl]phenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 58049582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).