2-(3,5-difluorophenyl)-2-ethylbutan-1-amine

C12H17F2N — CID 61496563

IUPAC2-(3,5-difluorophenyl)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-3-12(4-2,8-15)9-5-10(13)7-11(14)6-9/h5-7H,3-4,8,15H2,1-2H3
InChIKeyPAKZDBMNKHOLJJ-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.98
Rot. Bonds4

About 2-(3,5-difluorophenyl)-2-ethylbutan-1-amine

2-(3,5-difluorophenyl)-2-ethylbutan-1-amine (PubChem CID 61496563) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-ethylbutan-1-amine
PubChem CID61496563
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-(3,5-difluorophenyl)-2-ethylbutan-1-amine
SMILESCCC(CC)(CN)c1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-3-12(4-2,8-15)9-5-10(13)7-11(14)6-9/h5-7H,3-4,8,15H2,1-2H3
InChIKeyPAKZDBMNKHOLJJ-UHFFFAOYSA-N
XLogP2.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-ethylbutan-1-amine?
The IUPAC name of 2-(3,5-difluorophenyl)-2-ethylbutan-1-amine (CID 61496563) is 2-(3,5-difluorophenyl)-2-ethylbutan-1-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-ethylbutan-1-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-ethylbutan-1-amine is CCC(CC)(CN)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-ethylbutan-1-amine?
The InChIKey is PAKZDBMNKHOLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-12(4-2,8-15)9-5-10(13)7-11(14)6-9/h5-7H,3-4,8,15H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-2-ethylbutan-1-amine?
2-(3,5-difluorophenyl)-2-ethylbutan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-2-ethylbutan-1-amine is sourced from PubChem (CID 61496563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).