1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine

C13H18F3NO — CID 55056937

IUPAC1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCCOc1ccc(C)cc1C(CC(F)(F)F)NC
InChIInChI=1S/C13H18F3NO/c1-4-18-12-6-5-9(2)7-10(12)11(17-3)8-13(14,15)16/h5-7,11,17H,4,8H2,1-3H3
InChIKeyNXDNCZKWHRCKDJ-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.61
Rot. Bonds5

About 1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine

1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 55056937) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID55056937
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCCOc1ccc(C)cc1C(CC(F)(F)F)NC
InChIInChI=1S/C13H18F3NO/c1-4-18-12-6-5-9(2)7-10(12)11(17-3)8-13(14,15)16/h5-7,11,17H,4,8H2,1-3H3
InChIKeyNXDNCZKWHRCKDJ-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-5-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 63505367
1-(2-ethoxy-5-methylphenyl)-N-methylpentan-1-amine
CID 62302323
3-cyclopentyl-1-(2-ethoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 63506516
1-(2-ethoxy-5-methylphenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 62302998
1-(2-ethoxy-5-methylphenyl)-N-ethylpropan-1-amine
CID 62301989
1-(2-methoxy-5-methylphenyl)-N-methylbutan-1-amine
CID 43626227
1-(2-ethoxy-5-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 62302995
1-(2-ethoxy-5-methylphenyl)-N,2-dimethylpentan-1-amine
CID 62303499
1-(2-ethoxy-5-methylphenyl)-3-methyl-2-(methylamino)butan-1-ol
CID 82315218
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-(2-ethoxy-5-methylphenyl)-1-(5-ethylthiophen-2-yl)-N-methylmethanamine
CID 62302159
2-(1-chloropropyl)-1-ethoxy-4-methylbenzene
CID 62302672

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine (CID 55056937) is 1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine is CCOc1ccc(C)cc1C(CC(F)(F)F)NC.
What is the InChIKey of 1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is NXDNCZKWHRCKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-4-18-12-6-5-9(2)7-10(12)11(17-3)8-13(14,15)16/h5-7,11,17H,4,8H2,1-3H3.
What are the key properties of 1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine?
1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-5-methylphenyl)-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 55056937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).