3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine

C11H12F3NO — CID 169464681

IUPAC3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCOc1ccc(C(F)(F)F)cc1C=CCN
InChIInChI=1S/C11H12F3NO/c1-16-10-5-4-9(11(12,13)14)7-8(10)3-2-6-15/h2-5,7H,6,15H2,1H3
InChIKeyYAYQNFLNLFURKP-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.69
Rot. Bonds3

About 3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine

3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 169464681) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID169464681
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCOc1ccc(C(F)(F)F)cc1C=CCN
InChIInChI=1S/C11H12F3NO/c1-16-10-5-4-9(11(12,13)14)7-8(10)3-2-6-15/h2-5,7H,6,15H2,1H3
InChIKeyYAYQNFLNLFURKP-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333674
3-[2-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169474783
2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline
CID 169464113
3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463994
2-[(E)-3-aminoprop-1-enyl]-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115111123
3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463995
tert-butyl N-[3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169468751
2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile
CID 169464354
(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333672
[(1S,3S)-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropyl]methanamine
CID 178197711
4-[2-methoxy-4-(trifluoromethyl)phenyl]but-3-enoic acid
CID 170484378
ethyl 4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzoate
CID 23141481

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 169464681) is 3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for 3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for 3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine is COc1ccc(C(F)(F)F)cc1C=CCN.
What is the InChIKey of 3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is YAYQNFLNLFURKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-10-5-4-9(11(12,13)14)7-8(10)3-2-6-15/h2-5,7H,6,15H2,1H3.
What are the key properties of 3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine?
3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine has a molecular weight of 231.22 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 169464681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).