[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride

C15H15ClF3NO — CID 139449915

IUPAC[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO.ClH/c16-15(17,18)13-5-1-12(2-6-13)10-20-14-7-3-11(9-19)4-8-14;/h1-8H,9-10,19H2;1H
InChIKeyOQPRLHHTEJYUSU-UHFFFAOYSA-N
MW317.74 g/mol
LogP4.16
Rot. Bonds4

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

[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride (PubChem CID 139449915) has the molecular formula C15H15ClF3NO and a molecular weight of 317.74 g/mol. Its IUPAC name is [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride
PubChem CID139449915
Molecular FormulaC15H15ClF3NO
Molecular Weight317.74 g/mol
Exact Mass317.08
IUPAC Name[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H14F3NO.ClH/c16-15(17,18)13-5-1-12(2-6-13)10-20-14-7-3-11(9-19)4-8-14;/h1-8H,9-10,19H2;1H
InChIKeyOQPRLHHTEJYUSU-UHFFFAOYSA-N
XLogP4.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride (CID 139449915) is [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride is Cl.NCc1ccc(OCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride?
The InChIKey is OQPRLHHTEJYUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO.ClH/c16-15(17,18)13-5-1-12(2-6-13)10-20-14-7-3-11(9-19)4-8-14;/h1-8H,9-10,19H2;1H.
What are the key properties of [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride?
[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride has a molecular weight of 317.74 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 139449915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).