N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine

C16H24F3NO — CID 103025037

IUPACN-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCNC(Cc1cccc(C(F)(F)F)c1)CC(C)(C)OC
InChIInChI=1S/C16H24F3NO/c1-5-20-14(11-15(2,3)21-4)10-12-7-6-8-13(9-12)16(17,18)19/h6-9,14,20H,5,10-11H2,1-4H3
InChIKeyZDGXLLPCDMITEP-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.04
Rot. Bonds7

About N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine

N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 103025037) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID103025037
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCNC(Cc1cccc(C(F)(F)F)c1)CC(C)(C)OC
InChIInChI=1S/C16H24F3NO/c1-5-20-14(11-15(2,3)21-4)10-12-7-6-8-13(9-12)16(17,18)19/h6-9,14,20H,5,10-11H2,1-4H3
InChIKeyZDGXLLPCDMITEP-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine (CID 103025037) is N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine is CCNC(Cc1cccc(C(F)(F)F)c1)CC(C)(C)OC.
What is the InChIKey of N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is ZDGXLLPCDMITEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-5-20-14(11-15(2,3)21-4)10-12-7-6-8-13(9-12)16(17,18)19/h6-9,14,20H,5,10-11H2,1-4H3.
What are the key properties of N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine?
N-ethyl-4-methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 303.37 g/mol, XLogP of 4.04, 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-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 103025037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).