N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine

C14H20F3NO2 — CID 170587995

IUPACN-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCc1c(OC)ccc(CN(C)CC(F)(F)F)c1OC
InChIInChI=1S/C14H20F3NO2/c1-5-11-12(19-3)7-6-10(13(11)20-4)8-18(2)9-14(15,16)17/h6-7H,5,8-9H2,1-4H3
InChIKeyOOHGPIBVULZQAI-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.26
Rot. Bonds6

About N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine

N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 170587995) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID170587995
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCc1c(OC)ccc(CN(C)CC(F)(F)F)c1OC
InChIInChI=1S/C14H20F3NO2/c1-5-11-12(19-3)7-6-10(13(11)20-4)8-18(2)9-14(15,16)17/h6-7H,5,8-9H2,1-4H3
InChIKeyOOHGPIBVULZQAI-UHFFFAOYSA-N
XLogP3.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62018917
1-[4-methoxy-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]ethanone
CID 60893124
5-methoxy-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 113305265
4-[(3-ethyl-2,4-dimethoxyphenyl)methyl]piperidine
CID 117413527
2-amino-3-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385932
N-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-2,2-difluoro-N-methylethanamine
CID 170587356
1-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-3-methoxyazetidine
CID 170589138
1-(3-ethyl-2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 84787995
1-(2-ethyl-3,4-dimethoxyphenyl)-2-methylpropan-2-amine
CID 117347553
1,3-dibutyl-2,4-dimethoxybenzene
CID 162495747
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43458546

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine (CID 170587995) is N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine is CCc1c(OC)ccc(CN(C)CC(F)(F)F)c1OC.
What is the InChIKey of N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is OOHGPIBVULZQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-5-11-12(19-3)7-6-10(13(11)20-4)8-18(2)9-14(15,16)17/h6-7H,5,8-9H2,1-4H3.
What are the key properties of N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 291.31 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 170587995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).