2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride

C16H17ClF3NO — CID 11580776

IUPAC2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO.ClH/c17-16(18,19)14-5-1-13(2-6-14)11-21-15-7-3-12(4-8-15)9-10-20;/h1-8H,9-11,20H2;1H
InChIKeyHIRKGESDUQRXBS-UHFFFAOYSA-N
MW331.77 g/mol
LogP4.21
Rot. Bonds5

About 2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride

2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride (PubChem CID 11580776) has the molecular formula C16H17ClF3NO and a molecular weight of 331.77 g/mol. Its IUPAC name is 2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride
PubChem CID11580776
Molecular FormulaC16H17ClF3NO
Molecular Weight331.77 g/mol
Exact Mass331.10
IUPAC Name2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride
SMILESCl.NCCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H16F3NO.ClH/c17-16(18,19)14-5-1-13(2-6-14)11-21-15-7-3-12(4-8-15)9-10-20;/h1-8H,9-11,20H2;1H
InChIKeyHIRKGESDUQRXBS-UHFFFAOYSA-N
XLogP4.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride?
The IUPAC name of 2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride (CID 11580776) is 2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride is Cl.NCCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride?
The InChIKey is HIRKGESDUQRXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO.ClH/c17-16(18,19)14-5-1-13(2-6-14)11-21-15-7-3-12(4-8-15)9-10-20;/h1-8H,9-11,20H2;1H.
What are the key properties of 2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride?
2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride has a molecular weight of 331.77 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine;hydrochloride is sourced from PubChem (CID 11580776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).