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

C18H21F3N2O — CID 58049591

IUPAC2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(c1ccc(N)cc1)c1ccc(N)c(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O/c1-16(2,11-4-7-13(22)8-5-11)12-6-9-15(23)14(10-12)17(3,24)18(19,20)21/h4-10,24H,22-23H2,1-3H3
InChIKeyDJZFWGCLWQDICZ-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.95
Rot. Bonds3

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

2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 58049591) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID58049591
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(C)(c1ccc(N)cc1)c1ccc(N)c(C(C)(O)C(F)(F)F)c1
InChIInChI=1S/C18H21F3N2O/c1-16(2,11-4-7-13(22)8-5-11)12-6-9-15(23)14(10-12)17(3,24)18(19,20)21/h4-10,24H,22-23H2,1-3H3
InChIKeyDJZFWGCLWQDICZ-UHFFFAOYSA-N
XLogP3.95
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tris(p-aminophenyl)methanol
CID 10084
(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
4-[3-(4-Amino-3-methylphenyl)pentan-3-yl]-2-methylphenol
CID 71712304
1-(2-Aminophenyl)-1,2-diphenylethanol
CID 2803358
4-[4-(4-Amino-3-methylphenyl)heptan-4-yl]-2-methylphenol
CID 155536687
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
(2-Aminophenyl)[bis(4-methylphenyl)]methanol
CID 2975188

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol (CID 58049591) is 2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol is CC(C)(c1ccc(N)cc1)c1ccc(N)c(C(C)(O)C(F)(F)F)c1.
What is the InChIKey of 2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is DJZFWGCLWQDICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-16(2,11-4-7-13(22)8-5-11)12-6-9-15(23)14(10-12)17(3,24)18(19,20)21/h4-10,24H,22-23H2,1-3H3.
What are the key properties of 2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol?
2-[2-amino-5-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 338.37 g/mol, XLogP of 3.95, 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-[2-(4-aminophenyl)propan-2-yl]phenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 58049591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).