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

C12H14F3NO — CID 178169115

IUPAC3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine
SMILESC=C(COC)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-9(8-17-2)16-7-10-5-3-4-6-11(10)12(13,14)15/h3-6,16H,1,7-8H2,2H3
InChIKeyGWZUCUIMNWIEKX-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.96
Rot. Bonds5

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

3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine (PubChem CID 178169115) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine
PubChem CID178169115
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine
SMILESC=C(COC)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-9(8-17-2)16-7-10-5-3-4-6-11(10)12(13,14)15/h3-6,16H,1,7-8H2,2H3
InChIKeyGWZUCUIMNWIEKX-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-{[2-(Trifluoromethyl)benzyl]amino}-2-propanol hydrochloride
CID 2966559
1-methoxy-N-[(2-methylphenyl)methyl]propan-2-amine
CID 651922
N-(2,6-difluorobenzyl)-1-methoxypropan-2-amine
CID 2851055
1-{[2-(Trifluoromethyl)benzyl]amino}propan-2-ol
CID 2966560
N-(2-fluorobenzyl)-2-methoxyethanamine
CID 3931060
N-(2,5-difluorobenzyl)-1-methoxypropan-2-amine
CID 3126331
2-{[2-(Trifluoromethyl)benzyl]amino}ethanol
CID 1814897
(4-Fluorobenzyl)(2-methoxyethyl)amine
CID 3865760
(2-Methoxyethyl)({1-[3-(trifluoromethyl)phenyl]ethyl})amine
CID 43177261
(1R)-N-(2-methoxyethyl)-1-phenylethanamine
CID 28425882
(2S)-N-[(2,5-difluorophenyl)methyl]-1-methoxypropan-2-amine
CID 792686
2-Methyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol
CID 834372

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine?
The IUPAC name of 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine (CID 178169115) is 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine.
What is the SMILES notation for 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine?
The canonical SMILES for 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine is C=C(COC)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine?
The InChIKey is GWZUCUIMNWIEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-9(8-17-2)16-7-10-5-3-4-6-11(10)12(13,14)15/h3-6,16H,1,7-8H2,2H3.
What are the key properties of 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine?
3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine has a molecular weight of 245.24 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]prop-1-en-2-amine is sourced from PubChem (CID 178169115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).