[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride

C15H15ClF3NO2 — CID 72736161

IUPAC[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C15H14F3NO2.ClH/c16-15(17,18)21-14-3-1-2-12(8-14)10-20-13-6-4-11(9-19)5-7-13;/h1-8H,9-10,19H2;1H
InChIKeyXVKBXJCHXRLYAQ-UHFFFAOYSA-N
MW333.74 g/mol
LogP4.04
Rot. Bonds5

About [4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride

[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride (PubChem CID 72736161) has the molecular formula C15H15ClF3NO2 and a molecular weight of 333.74 g/mol. Its IUPAC name is [4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride
PubChem CID72736161
Molecular FormulaC15H15ClF3NO2
Molecular Weight333.74 g/mol
Exact Mass333.07
IUPAC Name[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C15H14F3NO2.ClH/c16-15(17,18)21-14-3-1-2-12(8-14)10-20-13-6-4-11(9-19)5-7-13;/h1-8H,9-10,19H2;1H
InChIKeyXVKBXJCHXRLYAQ-UHFFFAOYSA-N
XLogP4.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride (CID 72736161) is [4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride is Cl.NCc1ccc(OCc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of [4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride?
The InChIKey is XVKBXJCHXRLYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2.ClH/c16-15(17,18)21-14-3-1-2-12(8-14)10-20-13-6-4-11(9-19)5-7-13;/h1-8H,9-10,19H2;1H.
What are the key properties of [4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride?
[4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride has a molecular weight of 333.74 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(trifluoromethoxy)phenyl]methoxy]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 72736161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).