N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine

C12H16F3NO — CID 115257940

IUPACN-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCOc1ccc(CN(C)CC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-3-17-11-6-4-10(5-7-11)8-16(2)9-12(13,14)15/h4-7H,3,8-9H2,1-2H3
InChIKeyWTDOENQVEZXZHS-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.08
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine

N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 115257940) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID115257940
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCOc1ccc(CN(C)CC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-3-17-11-6-4-10(5-7-11)8-16(2)9-12(13,14)15/h4-7H,3,8-9H2,1-2H3
InChIKeyWTDOENQVEZXZHS-UHFFFAOYSA-N
XLogP3.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-ethoxyphenyl)methyl-methylamino]-2,2-dimethylpropanenitrile
CID 115234114
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
N-[[4-(chloromethyl)phenyl]methyl]-2,2,2-trifluoro-N-methylethanamine;hydrochloride
CID 67046261
1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
CID 62335072
ethane;N-[(4-ethoxyphenyl)methyl]-N-methylheptan-1-amine
CID 156653185
N-[(4-ethoxyphenyl)methyl]-N-methylpropan-2-amine
CID 78815360
N-(2,2-dimethylpropyl)-2-(4-ethoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 56531117
[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243547
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
1-(4-ethoxyphenyl)-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 47034682
4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 115123071

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine (CID 115257940) is N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine is CCOc1ccc(CN(C)CC(F)(F)F)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is WTDOENQVEZXZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-17-11-6-4-10(5-7-11)8-16(2)9-12(13,14)15/h4-7H,3,8-9H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 247.26 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 115257940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).