N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine

C15H22F3NO — CID 105141438

IUPACN-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCNC(CCC(C)OC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-4-19-14(9-8-11(2)20-3)12-6-5-7-13(10-12)15(16,17)18/h5-7,10-11,14,19H,4,8-9H2,1-3H3
InChIKeyBBSMRHMGKUDFHU-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.17
Rot. Bonds7

About N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine

N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine (PubChem CID 105141438) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
PubChem CID105141438
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
SMILESCCNC(CCC(C)OC)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-4-19-14(9-8-11(2)20-3)12-6-5-7-13(10-12)15(16,17)18/h5-7,10-11,14,19H,4,8-9H2,1-3H3
InChIKeyBBSMRHMGKUDFHU-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141419
N-ethyl-2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64633057
N,3-diethyl-1-[3-(trifluoromethyl)phenyl]pentan-1-amine
CID 82920537
N-ethyl-2-(3-methylbutylsulfanyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 107764275
N-ethyl-2-propan-2-ylsulfonyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64675011
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 64535416
N-ethyl-4-methoxy-1-[2-(trifluoromethyl)phenyl]pentan-1-amine
CID 105145424
4-ethoxy-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 105141501
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 116716969
3-ethoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 112688216
N-ethyl-2-propylsulfinyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64652363
N-ethyl-3-(oxolan-2-yl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 65166820

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine (CID 105141438) is N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine is CCNC(CCC(C)OC)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine?
The InChIKey is BBSMRHMGKUDFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-19-14(9-8-11(2)20-3)12-6-5-7-13(10-12)15(16,17)18/h5-7,10-11,14,19H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine?
N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-1-[3-(trifluoromethyl)phenyl]pentan-1-amine is sourced from PubChem (CID 105141438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).