1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol

C15H13F3INO — CID 115911644

IUPAC1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol
SMILESNc1ccc(C(F)(F)F)cc1C(O)Cc1ccc(I)cc1
InChIInChI=1S/C15H13F3INO/c16-15(17,18)10-3-6-13(20)12(8-10)14(21)7-9-1-4-11(19)5-2-9/h1-6,8,14,21H,7,20H2
InChIKeyOGKXWNHKJITUDB-UHFFFAOYSA-N
MW407.17 g/mol
LogP4.17
Rot. Bonds3

About 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol

1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol (PubChem CID 115911644) has the molecular formula C15H13F3INO and a molecular weight of 407.17 g/mol. Its IUPAC name is 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol.

Molecular Properties

Compound Name1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol
PubChem CID115911644
Molecular FormulaC15H13F3INO
Molecular Weight407.17 g/mol
Exact Mass407.00
IUPAC Name1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol
SMILESNc1ccc(C(F)(F)F)cc1C(O)Cc1ccc(I)cc1
InChIInChI=1S/C15H13F3INO/c16-15(17,18)10-3-6-13(20)12(8-10)14(21)7-9-1-4-11(19)5-2-9/h1-6,8,14,21H,7,20H2
InChIKeyOGKXWNHKJITUDB-UHFFFAOYSA-N
XLogP4.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.17
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 82683165
2-(4-iodophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65479087
1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol
CID 115911628
1-[2-amino-5-(trifluoromethyl)phenyl]-4-methylsulfonylbutan-1-ol
CID 115911626
2-amino-1-[2-amino-5-(trifluoromethyl)phenyl]propan-1-ol
CID 105494015
[2-(4-iodophenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193885
1-[2-amino-5-(trifluoromethyl)phenyl]-4-sulfanylbutane-1,2-diol
CID 171874743
3-[2-amino-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropanenitrile
CID 171870881
[2-amino-5-(trifluoromethyl)phenyl]-(4-methylphenyl)methanol
CID 115911656
1-[2-amino-5-(trifluoromethyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890868
4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol
CID 65478092
2-[[2-amino-5-(trifluoromethyl)phenyl]-phenylmethyl]-4-(trifluoromethyl)aniline
CID 146643122

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol?
The IUPAC name of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol (CID 115911644) is 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol.
What is the SMILES notation for 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol?
The canonical SMILES for 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol is Nc1ccc(C(F)(F)F)cc1C(O)Cc1ccc(I)cc1.
What is the InChIKey of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol?
The InChIKey is OGKXWNHKJITUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3INO/c16-15(17,18)10-3-6-13(20)12(8-10)14(21)7-9-1-4-11(19)5-2-9/h1-6,8,14,21H,7,20H2.
What are the key properties of 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol?
1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol has a molecular weight of 407.17 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol is sourced from PubChem (CID 115911644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).