(E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine

C11H12F3NO — CID 117333674

IUPAC(E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCOc1cc(C(F)(F)F)ccc1/C=C/CN
InChIInChI=1S/C11H12F3NO/c1-16-10-7-9(11(12,13)14)5-4-8(10)3-2-6-15/h2-5,7H,6,15H2,1H3/b3-2+
InChIKeyLOTTUJDYAHKXLN-NSCUHMNNSA-N
MW231.22 g/mol
LogP2.69
Rot. Bonds3

About (E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine

(E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 117333674) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID117333674
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCOc1cc(C(F)(F)F)ccc1/C=C/CN
InChIInChI=1S/C11H12F3NO/c1-16-10-7-9(11(12,13)14)5-4-8(10)3-2-6-15/h2-5,7H,6,15H2,1H3/b3-2+
InChIKeyLOTTUJDYAHKXLN-NSCUHMNNSA-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

3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169464681
4-[2-methoxy-4-(trifluoromethyl)phenyl]but-3-enoic acid
CID 170484378
3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463995
2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)aniline
CID 169464113
2-methoxy-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene
CID 67165645
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-methoxy-5-(trifluoromethyl)phenyl]-N-methylprop-2-en-1-amine
CID 169474783
2-(3-aminoprop-1-enyl)-4-(trifluoromethyl)benzonitrile
CID 169464354
(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333672
5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol
CID 117286690
6-[(E)-3-aminoprop-1-enyl]-2-methoxy-3-(trifluoromethyl)phenol
CID 117369568

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 117333674) is (E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine is COc1cc(C(F)(F)F)ccc1/C=C/CN.
What is the InChIKey of (E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is LOTTUJDYAHKXLN-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-10-7-9(11(12,13)14)5-4-8(10)3-2-6-15/h2-5,7H,6,15H2,1H3/b3-2+.
What are the key properties of (E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine?
(E)-3-[2-methoxy-4-(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 (E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 117333674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).