N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine

C19H23ClFN — CID 69341923

IUPACN-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine
SMILESCC(C)(C)c1ccc(CNCC(F)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClFN/c1-19(2,3)16-8-4-14(5-9-16)12-22-13-18(21)15-6-10-17(20)11-7-15/h4-11,18,22H,12-13H2,1-3H3
InChIKeyJOBYUYLIXFICFE-UHFFFAOYSA-N
MW319.85 g/mol
LogP5.44
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine

N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine (PubChem CID 69341923) has the molecular formula C19H23ClFN and a molecular weight of 319.85 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine
PubChem CID69341923
Molecular FormulaC19H23ClFN
Molecular Weight319.85 g/mol
Exact Mass319.15
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine
SMILESCC(C)(C)c1ccc(CNCC(F)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClFN/c1-19(2,3)16-8-4-14(5-9-16)12-22-13-18(21)15-6-10-17(20)11-7-15/h4-11,18,22H,12-13H2,1-3H3
InChIKeyJOBYUYLIXFICFE-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.85
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine (CID 69341923) is N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine is CC(C)(C)c1ccc(CNCC(F)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine?
The InChIKey is JOBYUYLIXFICFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFN/c1-19(2,3)16-8-4-14(5-9-16)12-22-13-18(21)15-6-10-17(20)11-7-15/h4-11,18,22H,12-13H2,1-3H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine?
N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine has a molecular weight of 319.85 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-(4-chlorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 69341923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).