N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride

C19H22ClF4N — CID 90675045

IUPACN,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride
SMILESCN(C)C(C)(C)c1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H21F4N.ClH/c1-17(2,24(3)4)14-10-12-16(13-11-14)19(22,23)18(20,21)15-8-6-5-7-9-15;/h5-13H,1-4H3;1H
InChIKeyPSVKJZCQIRLQFY-UHFFFAOYSA-N
MW375.84 g/mol
LogP5.79
Rot. Bonds5

About N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride

N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride (PubChem CID 90675045) has the molecular formula C19H22ClF4N and a molecular weight of 375.84 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride
PubChem CID90675045
Molecular FormulaC19H22ClF4N
Molecular Weight375.84 g/mol
Exact Mass375.14
IUPAC NameN,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride
SMILESCN(C)C(C)(C)c1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H21F4N.ClH/c1-17(2,24(3)4)14-10-12-16(13-11-14)19(22,23)18(20,21)15-8-6-5-7-9-15;/h5-13H,1-4H3;1H
InChIKeyPSVKJZCQIRLQFY-UHFFFAOYSA-N
XLogP5.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.84
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride (CID 90675045) is N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride is CN(C)C(C)(C)c1ccc(C(F)(F)C(F)(F)c2ccccc2)cc1.Cl.
What is the InChIKey of N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride?
The InChIKey is PSVKJZCQIRLQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N.ClH/c1-17(2,24(3)4)14-10-12-16(13-11-14)19(22,23)18(20,21)15-8-6-5-7-9-15;/h5-13H,1-4H3;1H.
What are the key properties of N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride?
N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride has a molecular weight of 375.84 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(1,1,2,2-tetrafluoro-2-phenylethyl)phenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 90675045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).