N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine

C13H16F3NO — CID 79340063

IUPACN-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine
SMILESCCNCC(C)=Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-3-17-9-10(2)8-11-6-4-5-7-12(11)18-13(14,15)16/h4-8,17H,3,9H2,1-2H3
InChIKeyMHNABBXOYRBOSO-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.60
Rot. Bonds5

About N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine

N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine (PubChem CID 79340063) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine
PubChem CID79340063
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine
SMILESCCNCC(C)=Cc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H16F3NO/c1-3-17-9-10(2)8-11-6-4-5-7-12(11)18-13(14,15)16/h4-8,17H,3,9H2,1-2H3
InChIKeyMHNABBXOYRBOSO-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
CID 79334281
N-ethyl-4-[2-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79592283
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-ol
CID 79334184
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 79321888
2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
2-[2-[2-methyl-3-(2-methylpropylamino)prop-1-enyl]phenoxy]acetonitrile
CID 79338074
N-ethyl-2-methyl-3-quinolin-8-ylprop-2-en-1-amine
CID 79340793
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
(Z)-3-methyl-4-[2-(trifluoromethoxy)anilino]but-2-enoic acid
CID 103233513
S-[3-[2-(trifluoromethoxy)phenyl]prop-2-enyl] ethanethioate
CID 169457765
3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341621
(E)-4-[2-(trifluoromethoxy)phenyl]but-3-en-2-ol
CID 103971309

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine (CID 79340063) is N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine is CCNCC(C)=Cc1ccccc1OC(F)(F)F.
What is the InChIKey of N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The InChIKey is MHNABBXOYRBOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-3-17-9-10(2)8-11-6-4-5-7-12(11)18-13(14,15)16/h4-8,17H,3,9H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine has a molecular weight of 259.27 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-3-[2-(trifluoromethoxy)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 79340063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).