1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

C19H22F3NO3 — CID 78805305

IUPAC1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)c2cccc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C19H22F3NO3/c1-12(14-6-5-7-15(10-14)19(20,21)22)23-11-13-8-16(24-2)18(26-4)17(9-13)25-3/h5-10,12,23H,11H2,1-4H3
InChIKeyLVVCQCLCPINFJC-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.58
Rot. Bonds7

About 1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine

1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 78805305) has the molecular formula C19H22F3NO3 and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID78805305
Molecular FormulaC19H22F3NO3
Molecular Weight369.38 g/mol
Exact Mass369.16
IUPAC Name1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)c2cccc(C(F)(F)F)c2)cc(OC)c1OC
InChIInChI=1S/C19H22F3NO3/c1-12(14-6-5-7-15(10-14)19(20,21)22)23-11-13-8-16(24-2)18(26-4)17(9-13)25-3/h5-10,12,23H,11H2,1-4H3
InChIKeyLVVCQCLCPINFJC-UHFFFAOYSA-N
XLogP4.58
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 78805308
(1S)-1-(3-ethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 94809075
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
(1S)-N-[(3-iodo-4,5-dimethoxyphenyl)methyl]-1-phenylethanamine
CID 7390001
(1S)-1-(4-ethylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 95901161
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43182177
2-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
CID 43723801
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8599507
(1R)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 95180732
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 47616721
(1S)-1-(3-fluorophenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 28541344
N-[(4-bromothiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43223829

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine (CID 78805305) is 1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is COc1cc(CNC(C)c2cccc(C(F)(F)F)c2)cc(OC)c1OC.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is LVVCQCLCPINFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO3/c1-12(14-6-5-7-15(10-14)19(20,21)22)23-11-13-8-16(24-2)18(26-4)17(9-13)25-3/h5-10,12,23H,11H2,1-4H3.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine?
1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 369.38 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 78805305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).