(E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine

C12H14F3NO — CID 107105350

IUPAC(E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
SMILESCNC/C(C)=C/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-9(8-16-2)6-10-4-3-5-11(7-10)17-12(13,14)15/h3-7,16H,8H2,1-2H3/b9-6+
InChIKeyMYFBBHLNKJGMSE-RMKNXTFCSA-N
MW245.24 g/mol
LogP3.21
Rot. Bonds4

About (E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine

(E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine (PubChem CID 107105350) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
PubChem CID107105350
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
SMILESCNC/C(C)=C/c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-9(8-16-2)6-10-4-3-5-11(7-10)17-12(13,14)15/h3-7,16H,8H2,1-2H3/b9-6+
InChIKeyMYFBBHLNKJGMSE-RMKNXTFCSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79591557
3-(3-bromophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340471
3-(3-chlorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 79340878
1-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)benzene
CID 89117521
(2E)-3-methyl-N-propyl-2-[[3-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 107105341
2-[3-(trifluoromethoxy)phenyl]ethenamine
CID 141333954
1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene
CID 18930258
3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 131874378
ethane;(NE)-N-[[3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 171091545
3-(3-ethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341319
ethyl 3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 54080322
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine (CID 107105350) is (E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine is CNC/C(C)=C/c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
The InChIKey is MYFBBHLNKJGMSE-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-9(8-16-2)6-10-4-3-5-11(7-10)17-12(13,14)15/h3-7,16H,8H2,1-2H3/b9-6+.
What are the key properties of (E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine?
(E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine has a molecular weight of 245.24 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine is sourced from PubChem (CID 107105350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).