2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine

C13H18F3NO2 — CID 89022522

IUPAC2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCOC(CN[C@H](C)c1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C13H18F3NO2/c1-9(17-8-12(18-2)19-3)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12,17H,8H2,1-3H3/t9-/m1/s1
InChIKeyVEODPWLEVZDICN-SECBINFHSA-N
MW277.29 g/mol
LogP2.97
Rot. Bonds6

About 2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine

2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine (PubChem CID 89022522) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
PubChem CID89022522
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine
SMILESCOC(CN[C@H](C)c1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C13H18F3NO2/c1-9(17-8-12(18-2)19-3)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12,17H,8H2,1-3H3/t9-/m1/s1
InChIKeyVEODPWLEVZDICN-SECBINFHSA-N
XLogP2.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine (CID 89022522) is 2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine is COC(CN[C@H](C)c1ccc(C(F)(F)F)cc1)OC.
What is the InChIKey of 2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
The InChIKey is VEODPWLEVZDICN-SECBINFHSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-9(17-8-12(18-2)19-3)10-4-6-11(7-5-10)13(14,15)16/h4-7,9,12,17H,8H2,1-3H3/t9-/m1/s1.
What are the key properties of 2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine?
2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine has a molecular weight of 277.29 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]ethanamine is sourced from PubChem (CID 89022522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).