1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine

C15H22F3NO — CID 66275433

IUPAC1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
SMILESCCc1ccc(C(NC)C(C)OC(C)C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-5-12-6-8-13(9-7-12)14(19-4)10(2)20-11(3)15(16,17)18/h6-11,14,19H,5H2,1-4H3
InChIKeyNGQMTOGJCASPOK-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.87
Rot. Bonds6

About 1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine

1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine (PubChem CID 66275433) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
PubChem CID66275433
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
SMILESCCc1ccc(C(NC)C(C)OC(C)C(F)(F)F)cc1
InChIInChI=1S/C15H22F3NO/c1-5-12-6-8-13(9-7-12)14(19-4)10(2)20-11(3)15(16,17)18/h6-11,14,19H,5H2,1-4H3
InChIKeyNGQMTOGJCASPOK-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,3-dimethylbutoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 66234272
1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309571
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)-N-methylpropan-1-amine
CID 82004948
1-(4-ethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948027
1-(4-ethylphenyl)-N-methyl-2-(3-methylphenoxy)propan-1-amine
CID 63473996
N,2-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 43625326
1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43484643
[1-(4-ethylphenyl)-2-methylbutyl]hydrazine
CID 105197447
2-methoxy-N-methyl-1-(4-propylphenyl)propan-1-amine
CID 79617048
N-methyl-1-(4-methylphenyl)-2-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956623
1-(4-ethylphenyl)-1-N,2-N-dimethyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63982925
3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine
CID 134316625

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine (CID 66275433) is 1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine is CCc1ccc(C(NC)C(C)OC(C)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine?
The InChIKey is NGQMTOGJCASPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-5-12-6-8-13(9-7-12)14(19-4)10(2)20-11(3)15(16,17)18/h6-11,14,19H,5H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine?
1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine is sourced from PubChem (CID 66275433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).