4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine

C15H23F2N — CID 116992656

IUPAC4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine
SMILESCC(C)C(F)(F)c1cccc(CCC(C)(C)N)c1
InChIInChI=1S/C15H23F2N/c1-11(2)15(16,17)13-7-5-6-12(10-13)8-9-14(3,4)18/h5-7,10-11H,8-9,18H2,1-4H3
InChIKeyCMXXZVRXWFYYDB-UHFFFAOYSA-N
MW255.35 g/mol
LogP4.10
Rot. Bonds5

About 4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine

4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine (PubChem CID 116992656) has the molecular formula C15H23F2N and a molecular weight of 255.35 g/mol. Its IUPAC name is 4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine
PubChem CID116992656
Molecular FormulaC15H23F2N
Molecular Weight255.35 g/mol
Exact Mass255.18
IUPAC Name4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine
SMILESCC(C)C(F)(F)c1cccc(CCC(C)(C)N)c1
InChIInChI=1S/C15H23F2N/c1-11(2)15(16,17)13-7-5-6-12(10-13)8-9-14(3,4)18/h5-7,10-11H,8-9,18H2,1-4H3
InChIKeyCMXXZVRXWFYYDB-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992678
3-[3-(1,1-difluoro-2-methylpropyl)phenyl]-N-methylpropan-1-amine
CID 116992650
3-(3-amino-3-methylbutyl)phenol
CID 19863682
chloromethane;(1R)-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanamine
CID 164589400
4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine
CID 66581986
5-(3-tert-butylphenyl)-2-fluoropentan-2-amine
CID 70646222
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]propan-1-amine
CID 116992645
2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine
CID 115040642
1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84727054
2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992716
2-amino-2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992715
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]butan-1-ol
CID 116992734

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine?
The IUPAC name of 4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine (CID 116992656) is 4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine.
What is the SMILES notation for 4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine?
The canonical SMILES for 4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine is CC(C)C(F)(F)c1cccc(CCC(C)(C)N)c1.
What is the InChIKey of 4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine?
The InChIKey is CMXXZVRXWFYYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N/c1-11(2)15(16,17)13-7-5-6-12(10-13)8-9-14(3,4)18/h5-7,10-11H,8-9,18H2,1-4H3.
What are the key properties of 4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine?
4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine has a molecular weight of 255.35 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine is sourced from PubChem (CID 116992656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).