(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine

C14H11F3INO — CID 115850885

IUPAC(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccccc1I)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11F3INO/c15-14(16,17)20-12-8-4-2-6-10(12)13(19)9-5-1-3-7-11(9)18/h1-8,13H,19H2
InChIKeyKPGXNVDNAWAZFC-UHFFFAOYSA-N
MW393.15 g/mol
LogP4.24
Rot. Bonds3

About (2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine

(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 115850885) has the molecular formula C14H11F3INO and a molecular weight of 393.15 g/mol. Its IUPAC name is (2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID115850885
Molecular FormulaC14H11F3INO
Molecular Weight393.15 g/mol
Exact Mass392.98
IUPAC Name(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccccc1I)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H11F3INO/c15-14(16,17)20-12-8-4-2-6-10(12)13(19)9-5-1-3-7-11(9)18/h1-8,13H,19H2
InChIKeyKPGXNVDNAWAZFC-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.15
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792609
(2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 63672561
(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 106691908
(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 62790847
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
(1S)-4,4,4-trifluoro-1-[2-(trifluoromethoxy)phenyl]butan-1-amine;hydrochloride
CID 171229687
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
(5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141567
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
(4-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792623
(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115530155

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine (CID 115850885) is (2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine is NC(c1ccccc1I)c1ccccc1OC(F)(F)F.
What is the InChIKey of (2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is KPGXNVDNAWAZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3INO/c15-14(16,17)20-12-8-4-2-6-10(12)13(19)9-5-1-3-7-11(9)18/h1-8,13H,19H2.
What are the key properties of (2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine?
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 393.15 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 115850885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).