1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine

C16H15F3IN — CID 115830875

IUPAC1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)c1ccc(I)cc1
InChIInChI=1S/C16H15F3IN/c1-21-15(12-5-7-14(20)8-6-12)10-11-3-2-4-13(9-11)16(17,18)19/h2-9,15,21H,10H2,1H3
InChIKeyYETCZEWPMVWMPC-UHFFFAOYSA-N
MW405.20 g/mol
LogP4.81
Rot. Bonds4

About 1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine

1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 115830875) has the molecular formula C16H15F3IN and a molecular weight of 405.20 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID115830875
Molecular FormulaC16H15F3IN
Molecular Weight405.20 g/mol
Exact Mass405.02
IUPAC Name1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)c1ccc(I)cc1
InChIInChI=1S/C16H15F3IN/c1-21-15(12-5-7-14(20)8-6-12)10-11-3-2-4-13(9-11)16(17,18)19/h2-9,15,21H,10H2,1H3
InChIKeyYETCZEWPMVWMPC-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62717333
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 66468158
N-methyl-1-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62600521
1-(4-iodophenyl)-N-methyl-2-naphthalen-2-ylethanamine
CID 63526847
[2-(4-iodophenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193885
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107968090
N-methyl-1-(4-methyl-3-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 66273581
2-(4-iodophenyl)-N-methyl-1-phenylethanamine
CID 65479327
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
N-ethyl-1-pyridin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62602438
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 103405485
4-iodo-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 28878737

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine (CID 115830875) is 1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine is CNC(Cc1cccc(C(F)(F)F)c1)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is YETCZEWPMVWMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3IN/c1-21-15(12-5-7-14(20)8-6-12)10-11-3-2-4-13(9-11)16(17,18)19/h2-9,15,21H,10H2,1H3.
What are the key properties of 1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine?
1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 405.20 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 115830875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).