2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine

C12H17F2N — CID 105408136

IUPAC2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-3-12(2,8-15)7-9-4-10(13)6-11(14)5-9/h4-6H,3,7-8,15H2,1-2H3
InChIKeyVILZLKHCPSBDIH-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.88
Rot. Bonds4

About 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine

2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine (PubChem CID 105408136) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine
PubChem CID105408136
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine
SMILESCCC(C)(CN)Cc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2N/c1-3-12(2,8-15)7-9-4-10(13)6-11(14)5-9/h4-6H,3,7-8,15H2,1-2H3
InChIKeyVILZLKHCPSBDIH-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
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)methyl]-2-methylbutan-1-amine?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine (CID 105408136) is 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine is CCC(C)(CN)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine?
The InChIKey is VILZLKHCPSBDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-3-12(2,8-15)7-9-4-10(13)6-11(14)5-9/h4-6H,3,7-8,15H2,1-2H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine?
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.88, 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)methyl]-2-methylbutan-1-amine is sourced from PubChem (CID 105408136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).