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

C11H12F3NO — CID 117333672

IUPAC(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCOc1ccc(/C=C/CN)cc1C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-16-10-5-4-8(3-2-6-15)7-9(10)11(12,13)14/h2-5,7H,6,15H2,1H3/b3-2+
InChIKeyTXVPZXSRWRNHFF-NSCUHMNNSA-N
MW231.22 g/mol
LogP2.69
Rot. Bonds3

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

(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine (PubChem CID 117333672) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
PubChem CID117333672
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine
SMILESCOc1ccc(/C=C/CN)cc1C(F)(F)F
InChIInChI=1S/C11H12F3NO/c1-16-10-5-4-8(3-2-6-15)7-9(10)11(12,13)14/h2-5,7H,6,15H2,1H3/b3-2+
InChIKeyTXVPZXSRWRNHFF-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

(E)-3-(3-tert-butyl-4-methoxyphenyl)prop-2-en-1-amine
CID 82286004
4-[(E)-3-aminoprop-1-enyl]-2-methoxy-6-(trifluoromethyl)phenol
CID 117369569
3-[3-chloro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463998
3-[2-methoxy-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169464681
2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 87880684
benzyl N-[3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472456
1-methoxy-4-[(E)-2-[3-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-(trifluoromethyl)benzene
CID 90670107
4-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]-2-[[4-[(E)-2-[4-methoxy-3-(trifluoromethyl)phenyl]ethenyl]-2-pyridinyl]sulfanyl]pyridine
CID 143493256
(E)-3-[2-methoxy-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 117333674
tert-butyl N-[5-[(E)-3-aminoprop-1-enyl]-2-methoxyphenyl]carbamate
CID 117446430
(E)-3-[4-methoxy-3-(oxetan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117342269
[1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclobutyl]methanamine
CID 117401401

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine (CID 117333672) is (E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine is COc1ccc(/C=C/CN)cc1C(F)(F)F.
What is the InChIKey of (E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
The InChIKey is TXVPZXSRWRNHFF-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-10-5-4-8(3-2-6-15)7-9(10)11(12,13)14/h2-5,7H,6,15H2,1H3/b3-2+.
What are the key properties of (E)-3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine?
(E)-3-[4-methoxy-3-(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-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 117333672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).