N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride

C19H22ClF4N — CID 90675047

IUPACN-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride
SMILESCNC(C)(C)c1ccc(C(F)(F)C(F)(F)c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C19H21F4N.ClH/c1-13-5-7-15(8-6-13)18(20,21)19(22,23)16-11-9-14(10-12-16)17(2,3)24-4;/h5-12,24H,1-4H3;1H
InChIKeyFCFDLXULZQMXDX-UHFFFAOYSA-N
MW375.84 g/mol
LogP5.76
Rot. Bonds5

About N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride

N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride (PubChem CID 90675047) has the molecular formula C19H22ClF4N and a molecular weight of 375.84 g/mol. Its IUPAC name is N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride
PubChem CID90675047
Molecular FormulaC19H22ClF4N
Molecular Weight375.84 g/mol
Exact Mass375.14
IUPAC NameN-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride
SMILESCNC(C)(C)c1ccc(C(F)(F)C(F)(F)c2ccc(C)cc2)cc1.Cl
InChIInChI=1S/C19H21F4N.ClH/c1-13-5-7-15(8-6-13)18(20,21)19(22,23)16-11-9-14(10-12-16)17(2,3)24-4;/h5-12,24H,1-4H3;1H
InChIKeyFCFDLXULZQMXDX-UHFFFAOYSA-N
XLogP5.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.84
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride
CID 90675046
1-(1,1-difluoro-2,2-dimethylpropyl)-4-methylbenzene
CID 22261761
2-[4-[2-(methylamino)propan-2-yl]phenyl]propan-2-ol
CID 71218460
1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 14938913
1-fluoro-1-(4-methylphenyl)ethanethiol
CID 145074057
1-tert-butyl-4-methylbenzene
CID 163486601
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-[dichloro(fluoro)methyl]-4-methylbenzene
CID 70232782
1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene
CID 158300208
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[1,1,1-trifluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 157463661
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride?
The IUPAC name of N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride (CID 90675047) is N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride?
The canonical SMILES for N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride is CNC(C)(C)c1ccc(C(F)(F)C(F)(F)c2ccc(C)cc2)cc1.Cl.
What is the InChIKey of N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride?
The InChIKey is FCFDLXULZQMXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N.ClH/c1-13-5-7-15(8-6-13)18(20,21)19(22,23)16-11-9-14(10-12-16)17(2,3)24-4;/h5-12,24H,1-4H3;1H.
What are the key properties of N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride?
N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride has a molecular weight of 375.84 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[1,1,2,2-tetrafluoro-2-(4-methylphenyl)ethyl]phenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 90675047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).