3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C12H15F3IN — CID 114899378

IUPAC3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Cc1ccc(I)cc1
InChIInChI=1S/C12H15F3IN/c1-9(7-17-8-12(13,14)15)6-10-2-4-11(16)5-3-10/h2-5,9,17H,6-8H2,1H3
InChIKeyFDDQKIDGOALLPN-UHFFFAOYSA-N
MW357.16 g/mol
LogP3.62
Rot. Bonds5

About 3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine

3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 114899378) has the molecular formula C12H15F3IN and a molecular weight of 357.16 g/mol. Its IUPAC name is 3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID114899378
Molecular FormulaC12H15F3IN
Molecular Weight357.16 g/mol
Exact Mass357.02
IUPAC Name3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Cc1ccc(I)cc1
InChIInChI=1S/C12H15F3IN/c1-9(7-17-8-12(13,14)15)6-10-2-4-11(16)5-3-10/h2-5,9,17H,6-8H2,1H3
InChIKeyFDDQKIDGOALLPN-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 53.62
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

2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 55083992
2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine
CID 43755062
2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899410
3-(4-ethylphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528904
[1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105215678
4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol
CID 65478092
[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine
CID 105205984
N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62529892
(2S)-1-(4-iodophenyl)-N-propan-2-ylpropan-2-amine
CID 6603875
2-[(4-iodophenyl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139224
2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 65489905
2,6-dimethyl-N-(2,2,2-trifluoroethyl)heptan-1-amine
CID 114899374

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 114899378) is 3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)Cc1ccc(I)cc1.
What is the InChIKey of 3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is FDDQKIDGOALLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3IN/c1-9(7-17-8-12(13,14)15)6-10-2-4-11(16)5-3-10/h2-5,9,17H,6-8H2,1H3.
What are the key properties of 3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 357.16 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 114899378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).