N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine

C20H22F3NO2 — CID 78805308

IUPACN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESC=CCOc1ccc(CNC(C)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C20H22F3NO2/c1-4-10-26-18-9-8-15(11-19(18)25-3)13-24-14(2)16-6-5-7-17(12-16)20(21,22)23/h4-9,11-12,14,24H,1,10,13H2,2-3H3
InChIKeyCWYXVNHVTKLDDB-UHFFFAOYSA-N
MW365.40 g/mol
LogP5.13
Rot. Bonds8

About N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine

N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 78805308) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID78805308
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESC=CCOc1ccc(CNC(C)c2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C20H22F3NO2/c1-4-10-26-18-9-8-15(11-19(18)25-3)13-24-14(2)16-6-5-7-17(12-16)20(21,22)23/h4-9,11-12,14,24H,1,10,13H2,2-3H3
InChIKeyCWYXVNHVTKLDDB-UHFFFAOYSA-N
XLogP5.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 78805305
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 18226893
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]pentan-3-amine
CID 78804015
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 175721011
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 18084109
1-(3-methoxy-4-prop-2-enoxyphenyl)propan-2-amine
CID 60906895
3-[3-[1-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
CID 86879732
(1S)-N-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl]-1-phenylethanamine
CID 2217269
1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43233112
2-methoxy-4-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 81364019
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 78805308) is N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is C=CCOc1ccc(CNC(C)c2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is CWYXVNHVTKLDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-4-10-26-18-9-8-15(11-19(18)25-3)13-24-14(2)16-6-5-7-17(12-16)20(21,22)23/h4-9,11-12,14,24H,1,10,13H2,2-3H3.
What are the key properties of N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 365.40 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 78805308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).