N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine

C19H22F3NO — CID 13394778

IUPACN-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCN(OCc1ccccc1)C(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3NO/c1-3-23(24-14-16-8-5-4-6-9-16)15(2)12-17-10-7-11-18(13-17)19(20,21)22/h4-11,13,15H,3,12,14H2,1-2H3
InChIKeyGBLYLPUTMIDNQB-UHFFFAOYSA-N
MW337.39 g/mol
LogP5.09
Rot. Bonds7

About N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine

N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 13394778) has the molecular formula C19H22F3NO and a molecular weight of 337.39 g/mol. Its IUPAC name is N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID13394778
Molecular FormulaC19H22F3NO
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCCN(OCc1ccccc1)C(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H22F3NO/c1-3-23(24-14-16-8-5-4-6-9-16)15(2)12-17-10-7-11-18(13-17)19(20,21)22/h4-11,13,15H,3,12,14H2,1-2H3
InChIKeyGBLYLPUTMIDNQB-UHFFFAOYSA-N
XLogP5.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.39
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 13394778) is N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine is CCN(OCc1ccccc1)C(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is GBLYLPUTMIDNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO/c1-3-23(24-14-16-8-5-4-6-9-16)15(2)12-17-10-7-11-18(13-17)19(20,21)22/h4-11,13,15H,3,12,14H2,1-2H3.
What are the key properties of N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 337.39 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 13394778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).