(1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine

C19H17F6NO — CID 121419679

IUPAC(1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine
SMILESC=C[C@@](N)(O[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H17F6NO/c1-3-17(26,14-7-5-4-6-8-14)27-12(2)13-9-15(18(20,21)22)11-16(10-13)19(23,24)25/h3-12H,1,26H2,2H3/t12-,17-/m1/s1
InChIKeyBFUCZPPJOSZXND-SJKOYZFVSA-N
MW389.34 g/mol
LogP5.80
Rot. Bonds5

About (1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine

(1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine (PubChem CID 121419679) has the molecular formula C19H17F6NO and a molecular weight of 389.34 g/mol. Its IUPAC name is (1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine
PubChem CID121419679
Molecular FormulaC19H17F6NO
Molecular Weight389.34 g/mol
Exact Mass389.12
IUPAC Name(1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine
SMILESC=C[C@@](N)(O[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C19H17F6NO/c1-3-17(26,14-7-5-4-6-8-14)27-12(2)13-9-15(18(20,21)22)11-16(10-13)19(23,24)25/h3-12H,1,26H2,2H3/t12-,17-/m1/s1
InChIKeyBFUCZPPJOSZXND-SJKOYZFVSA-N
XLogP5.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.34
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine?
The IUPAC name of (1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine (CID 121419679) is (1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine.
What is the SMILES notation for (1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine?
The canonical SMILES for (1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine is C=C[C@@](N)(O[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of (1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine?
The InChIKey is BFUCZPPJOSZXND-SJKOYZFVSA-N. The full InChI is InChI=1S/C19H17F6NO/c1-3-17(26,14-7-5-4-6-8-14)27-12(2)13-9-15(18(20,21)22)11-16(10-13)19(23,24)25/h3-12H,1,26H2,2H3/t12-,17-/m1/s1.
What are the key properties of (1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine?
(1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine has a molecular weight of 389.34 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-phenylprop-2-en-1-amine is sourced from PubChem (CID 121419679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).