2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine

C18H17F6NO — CID 10339539

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine
SMILESCC(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)c1ccccc1
InChIInChI=1S/C18H17F6NO/c1-11(16(25)13-5-3-2-4-6-13)26-10-12-7-14(17(19,20)21)9-15(8-12)18(22,23)24/h2-9,11,16H,10,25H2,1H3
InChIKeyKCAVUUMWZQIOGX-UHFFFAOYSA-N
MW377.33 g/mol
LogP5.33
Rot. Bonds5

About 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine

2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine (PubChem CID 10339539) has the molecular formula C18H17F6NO and a molecular weight of 377.33 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine
PubChem CID10339539
Molecular FormulaC18H17F6NO
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine
SMILESCC(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)c1ccccc1
InChIInChI=1S/C18H17F6NO/c1-11(16(25)13-5-3-2-4-6-13)26-10-12-7-14(17(19,20)21)9-15(8-12)18(22,23)24/h2-9,11,16H,10,25H2,1H3
InChIKeyKCAVUUMWZQIOGX-UHFFFAOYSA-N
XLogP5.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.33
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine (CID 10339539) is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine is CC(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)c1ccccc1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine?
The InChIKey is KCAVUUMWZQIOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6NO/c1-11(16(25)13-5-3-2-4-6-13)26-10-12-7-14(17(19,20)21)9-15(8-12)18(22,23)24/h2-9,11,16H,10,25H2,1H3.
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine?
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine has a molecular weight of 377.33 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylpropan-1-amine is sourced from PubChem (CID 10339539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).