2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine

C15H21F4NO — CID 107289370

IUPAC2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H21F4NO/c1-4-6-13(21-5-2)14(20-3)10-7-8-11(12(16)9-10)15(17,18)19/h7-9,13-14,20H,4-6H2,1-3H3
InChIKeyWEGDBQSZCNFLCQ-UHFFFAOYSA-N
MW307.33 g/mol
LogP4.31
Rot. Bonds7

About 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine

2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine (PubChem CID 107289370) has the molecular formula C15H21F4NO and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
PubChem CID107289370
Molecular FormulaC15H21F4NO
Molecular Weight307.33 g/mol
Exact Mass307.16
IUPAC Name2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
SMILESCCCC(OCC)C(NC)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C15H21F4NO/c1-4-6-13(21-5-2)14(20-3)10-7-8-11(12(16)9-10)15(17,18)19/h7-9,13-14,20H,4-6H2,1-3H3
InChIKeyWEGDBQSZCNFLCQ-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
CID 107289129
1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718368
4-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylbutan-1-amine
CID 107291657
2-methoxy-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 116718838
2-ethoxy-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 116717728
1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 107287355
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 107288624
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine
CID 107289412
1-(3-cyclopropyloxyphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114522243
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
3-[3-fluoro-4-(trifluoromethyl)phenyl]-N-propan-2-ylbutan-1-amine
CID 107290720
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propoxypropan-1-ol
CID 107292089

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine?
The IUPAC name of 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine (CID 107289370) is 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine.
What is the SMILES notation for 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine?
The canonical SMILES for 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine is CCCC(OCC)C(NC)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine?
The InChIKey is WEGDBQSZCNFLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4NO/c1-4-6-13(21-5-2)14(20-3)10-7-8-11(12(16)9-10)15(17,18)19/h7-9,13-14,20H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine?
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine has a molecular weight of 307.33 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpentan-1-amine is sourced from PubChem (CID 107289370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).