1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine

C16H23F4N — CID 79647158

IUPAC1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
SMILESCNC(c1ccc(C(C)C)cc1C(C)C)C(F)(F)C(F)F
InChIInChI=1S/C16H23F4N/c1-9(2)11-6-7-12(13(8-11)10(3)4)14(21-5)16(19,20)15(17)18/h6-10,14-15,21H,1-5H3
InChIKeyLOSQHQAWTADDPP-UHFFFAOYSA-N
MW305.36 g/mol
LogP5.09
Rot. Bonds6

About 1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine

1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine (PubChem CID 79647158) has the molecular formula C16H23F4N and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
PubChem CID79647158
Molecular FormulaC16H23F4N
Molecular Weight305.36 g/mol
Exact Mass305.18
IUPAC Name1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
SMILESCNC(c1ccc(C(C)C)cc1C(C)C)C(F)(F)C(F)F
InChIInChI=1S/C16H23F4N/c1-9(2)11-6-7-12(13(8-11)10(3)4)14(21-5)16(19,20)15(17)18/h6-10,14-15,21H,1-5H3
InChIKeyLOSQHQAWTADDPP-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.36
LogP ≤ 55.09
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

1-(1-chloro-2,2,3,3-tetrafluoropropyl)-2,4-di(propan-2-yl)benzene
CID 79660195
1-[2,4-di(propan-2-yl)phenyl]-2,2-difluoroethanol
CID 113435253
2,2,3,3-tetrafluoro-N-methyl-1-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 79644822
1-(2,3-dihydro-1H-inden-5-yl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
CID 79659812
1-[2,4-di(propan-2-yl)phenyl]-2-ethyl-N-methylbutan-1-amine
CID 43484507
1-[2,4-di(propan-2-yl)phenyl]-N,4-dimethylpentan-1-amine
CID 43484494
1-(2-chloro-4,5-dimethylphenyl)-2,2,3,3-tetrafluoro-N-methylpropan-1-amine
CID 115483964
1-cyclopentyl-1-[2,4-di(propan-2-yl)phenyl]-N-methylmethanamine
CID 43484503
2,4-di(propan-2-yl)-1-(trifluoromethoxy)benzene
CID 59987619
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine
CID 82491046
1-[2,4-di(propan-2-yl)phenyl]-2-(2,2,2-trifluoroethoxy)ethanol
CID 103210128
1-[2,4-di(propan-2-yl)phenyl]-N-ethyl-2-methylpropan-1-amine
CID 43491280

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
The IUPAC name of 1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine (CID 79647158) is 1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine is CNC(c1ccc(C(C)C)cc1C(C)C)C(F)(F)C(F)F.
What is the InChIKey of 1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
The InChIKey is LOSQHQAWTADDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F4N/c1-9(2)11-6-7-12(13(8-11)10(3)4)14(21-5)16(19,20)15(17)18/h6-10,14-15,21H,1-5H3.
What are the key properties of 1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine?
1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine has a molecular weight of 305.36 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-di(propan-2-yl)phenyl]-2,2,3,3-tetrafluoro-N-methylpropan-1-amine is sourced from PubChem (CID 79647158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).