1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine

C18H21F2N — CID 64560038

IUPAC1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine
SMILESCC(C)(C)c1ccc(C(N)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H21F2N/c1-18(2,3)14-7-4-12(5-8-14)17(21)10-13-6-9-15(19)11-16(13)20/h4-9,11,17H,10,21H2,1-3H3
InChIKeyHQKIWPDPUKAXKY-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.50
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine

1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine (PubChem CID 64560038) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine
PubChem CID64560038
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine
SMILESCC(C)(C)c1ccc(C(N)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C18H21F2N/c1-18(2,3)14-7-4-12(5-8-14)17(21)10-13-6-9-15(19)11-16(13)20/h4-9,11,17H,10,21H2,1-3H3
InChIKeyHQKIWPDPUKAXKY-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
1-(4-tert-butylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622505
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
2-(2,4-difluorophenyl)-1-(4-propylphenyl)ethanamine
CID 64559469
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 115839730
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 64559658
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
2-(2,4-difluorophenyl)-1-(4-propoxyphenyl)ethanamine
CID 64561584
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(4-tert-butylthiadiazol-5-yl)-2-(2,4-difluorophenyl)ethanamine
CID 105117237
1-(2,4-difluorophenyl)propane-2-sulfonamide
CID 172765105

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine (CID 64560038) is 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine is CC(C)(C)c1ccc(C(N)Cc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine?
The InChIKey is HQKIWPDPUKAXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-18(2,3)14-7-4-12(5-8-14)17(21)10-13-6-9-15(19)11-16(13)20/h4-9,11,17H,10,21H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine?
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine is sourced from PubChem (CID 64560038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).