3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine

C14H21F2N — CID 103516515

IUPAC3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(C(C)(C)C)cc1)C(F)F
InChIInChI=1S/C14H21F2N/c1-14(2,3)11-7-5-10(6-8-11)9-12(17-4)13(15)16/h5-8,12-13,17H,9H2,1-4H3
InChIKeyTXIYPHKZGAUAAB-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.38
Rot. Bonds4

About 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine

3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 103516515) has the molecular formula C14H21F2N and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
PubChem CID103516515
Molecular FormulaC14H21F2N
Molecular Weight241.33 g/mol
Exact Mass241.16
IUPAC Name3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(C(C)(C)C)cc1)C(F)F
InChIInChI=1S/C14H21F2N/c1-14(2,3)11-7-5-10(6-8-11)9-12(17-4)13(15)16/h5-8,12-13,17H,9H2,1-4H3
InChIKeyTXIYPHKZGAUAAB-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine (CID 103516515) is 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine is CNC(Cc1ccc(C(C)(C)C)cc1)C(F)F.
What is the InChIKey of 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is TXIYPHKZGAUAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N/c1-14(2,3)11-7-5-10(6-8-11)9-12(17-4)13(15)16/h5-8,12-13,17H,9H2,1-4H3.
What are the key properties of 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine?
3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 241.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 103516515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).