(E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine

C11H11ClF3N — CID 107899908

IUPAC(E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine
SMILESFC(F)(F)c1ccccc1CNC/C=C/Cl
InChIInChI=1S/C11H11ClF3N/c12-6-3-7-16-8-9-4-1-2-5-10(9)11(13,14)15/h1-6,16H,7-8H2/b6-3+
InChIKeyMEAAKOCZHUBXMR-ZZXKWVIFSA-N
MW249.66 g/mol
LogP3.55
Rot. Bonds4

About (E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine

(E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine (PubChem CID 107899908) has the molecular formula C11H11ClF3N and a molecular weight of 249.66 g/mol. Its IUPAC name is (E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine
PubChem CID107899908
Molecular FormulaC11H11ClF3N
Molecular Weight249.66 g/mol
Exact Mass249.05
IUPAC Name(E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine
SMILESFC(F)(F)c1ccccc1CNC/C=C/Cl
InChIInChI=1S/C11H11ClF3N/c12-6-3-7-16-8-9-4-1-2-5-10(9)11(13,14)15/h1-6,16H,7-8H2/b6-3+
InChIKeyMEAAKOCZHUBXMR-ZZXKWVIFSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048756
1-(3-chloro-2-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 115656735
N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62049514
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
2,2-difluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 104857703
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 79494954
1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355
1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 2783073
3-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 102904012
1-[2-(trifluoromethyl)phenyl]-N-[[4-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]-1-bicyclo[2.2.2]octanyl]methyl]methanamine;dihydrochloride
CID 138398761
N-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]acetamide
CID 43398909

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine (CID 107899908) is (E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine is FC(F)(F)c1ccccc1CNC/C=C/Cl.
What is the InChIKey of (E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine?
The InChIKey is MEAAKOCZHUBXMR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H11ClF3N/c12-6-3-7-16-8-9-4-1-2-5-10(9)11(13,14)15/h1-6,16H,7-8H2/b6-3+.
What are the key properties of (E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine?
(E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine has a molecular weight of 249.66 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 107899908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).