5-(3,4-difluorophenyl)-2-methylpentan-2-amine

C12H17F2N — CID 116925212

IUPAC5-(3,4-difluorophenyl)-2-methylpentan-2-amine
SMILESCC(C)(N)CCCc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2N/c1-12(2,15)7-3-4-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7,15H2,1-2H3
InChIKeyAPGITPGTUVJMSH-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.02
Rot. Bonds4

About 5-(3,4-difluorophenyl)-2-methylpentan-2-amine

5-(3,4-difluorophenyl)-2-methylpentan-2-amine (PubChem CID 116925212) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-2-methylpentan-2-amine
PubChem CID116925212
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name5-(3,4-difluorophenyl)-2-methylpentan-2-amine
SMILESCC(C)(N)CCCc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2N/c1-12(2,15)7-3-4-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7,15H2,1-2H3
InChIKeyAPGITPGTUVJMSH-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-ethoxy-3-fluorophenyl)-2-methylpentan-2-amine
CID 116925225
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
1-N-[(3,4-difluorophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115200597
4-(3-tert-butyl-4-fluorophenyl)-2-methylbutan-2-amine
CID 90210068
4-[3-(3,4-difluorophenyl)propyl]piperidine
CID 18187745
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
1,2-difluoro-4-(2-methylsulfanylethyl)benzene
CID 130735643
2-[(3,4-difluorophenyl)methyl]-2-methylpentan-1-amine
CID 82930843
4-(3,4-difluorophenyl)-2,2-dimethylbutanoic acid
CID 65298322
1,2-difluoro-4-propylbenzene;methane
CID 160697343
4-(5-bromopentyl)-1,2-difluorobenzene
CID 57182682
1-(3,4-difluorophenyl)-2-N',2-N'-dimethylpropane-2,2-diamine
CID 84752735

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-2-methylpentan-2-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-2-methylpentan-2-amine (CID 116925212) is 5-(3,4-difluorophenyl)-2-methylpentan-2-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-2-methylpentan-2-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-2-methylpentan-2-amine is CC(C)(N)CCCc1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)-2-methylpentan-2-amine?
The InChIKey is APGITPGTUVJMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-12(2,15)7-3-4-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7,15H2,1-2H3.
What are the key properties of 5-(3,4-difluorophenyl)-2-methylpentan-2-amine?
5-(3,4-difluorophenyl)-2-methylpentan-2-amine has a molecular weight of 213.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-2-methylpentan-2-amine is sourced from PubChem (CID 116925212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).