N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine

C15H22F3NO2 — CID 104660475

IUPACN-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1ccccc1OCCOC
InChIInChI=1S/C15H22F3NO2/c1-3-19-13(8-9-15(16,17)18)12-6-4-5-7-14(12)21-11-10-20-2/h4-7,13,19H,3,8-11H2,1-2H3
InChIKeyPLNVNOFZMDPCAL-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.70
Rot. Bonds9

About N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine

N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine (PubChem CID 104660475) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
PubChem CID104660475
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC NameN-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
SMILESCCNC(CCC(F)(F)F)c1ccccc1OCCOC
InChIInChI=1S/C15H22F3NO2/c1-3-19-13(8-9-15(16,17)18)12-6-4-5-7-14(12)21-11-10-20-2/h4-7,13,19H,3,8-11H2,1-2H3
InChIKeyPLNVNOFZMDPCAL-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine
CID 104660193
N-ethyl-4-methoxy-1-[2-(2-methoxyethoxy)phenyl]pentan-1-amine
CID 105180487
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yloxyethanamine
CID 105180537
N-ethyl-4-methoxy-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 65092523
N-ethyl-1-[2-(2-methoxyethoxy)phenyl]-2-methylsulfonylethanamine
CID 105035305
N-ethyl-1-[2-(3-methoxypropoxy)phenyl]propan-1-amine
CID 54935500
1-[2-(2-methoxyethoxy)phenyl]-N-propylpentan-1-amine
CID 104660428
2-butan-2-ylsulfanyl-N-ethyl-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104660236
N-ethyl-4,4,4-trifluoro-1-(2-iodophenyl)butan-1-amine
CID 104992817
1-[2-(2-methoxyethoxy)phenyl]-N-propylhexan-1-amine
CID 105035328
1-[2-(3,3-dimethylbutoxy)phenyl]-N-ethylpropan-1-amine
CID 63501142

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine (CID 104660475) is N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine is CCNC(CCC(F)(F)F)c1ccccc1OCCOC.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine?
The InChIKey is PLNVNOFZMDPCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-3-19-13(8-9-15(16,17)18)12-6-4-5-7-14(12)21-11-10-20-2/h4-7,13,19H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine?
N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine has a molecular weight of 305.34 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-[2-(2-methoxyethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 104660475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).