N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine

C17H27F2N — CID 105408247

IUPACN-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CNC(C)(C)C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H27F2N/c1-6-17(7-2,12-20-16(3,4)5)11-13-8-14(18)10-15(19)9-13/h8-10,20H,6-7,11-12H2,1-5H3
InChIKeyXNMLKZNXBJLFBH-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.70
Rot. Bonds6

About N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine

N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine (PubChem CID 105408247) has the molecular formula C17H27F2N and a molecular weight of 283.41 g/mol. Its IUPAC name is N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine
PubChem CID105408247
Molecular FormulaC17H27F2N
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC NameN-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)(CNC(C)(C)C)Cc1cc(F)cc(F)c1
InChIInChI=1S/C17H27F2N/c1-6-17(7-2,12-20-16(3,4)5)11-13-8-14(18)10-15(19)9-13/h8-10,20H,6-7,11-12H2,1-5H3
InChIKeyXNMLKZNXBJLFBH-UHFFFAOYSA-N
XLogP4.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine?
The IUPAC name of N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine (CID 105408247) is N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine is CCC(CC)(CNC(C)(C)C)Cc1cc(F)cc(F)c1.
What is the InChIKey of N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine?
The InChIKey is XNMLKZNXBJLFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N/c1-6-17(7-2,12-20-16(3,4)5)11-13-8-14(18)10-15(19)9-13/h8-10,20H,6-7,11-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine?
N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3,5-difluorophenyl)methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 105408247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).