1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine

C12H16F3N — CID 66205754

IUPAC1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine
SMILESCNC(c1ccccc1)(C(C)C)C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-9(2)11(16-3,12(13,14)15)10-7-5-4-6-8-10/h4-9,16H,1-3H3
InChIKeyVIFNBAZNNXLKDD-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.32
Rot. Bonds3

About 1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine

1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine (PubChem CID 66205754) has the molecular formula C12H16F3N and a molecular weight of 231.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine
PubChem CID66205754
Molecular FormulaC12H16F3N
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine
SMILESCNC(c1ccccc1)(C(C)C)C(F)(F)F
InChIInChI=1S/C12H16F3N/c1-9(2)11(16-3,12(13,14)15)10-7-5-4-6-8-10/h4-9,16H,1-3H3
InChIKeyVIFNBAZNNXLKDD-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol
CID 134960749
1,1,1-trifluoro-3-methoxy-N-methyl-2-phenylpropan-2-amine
CID 103466015
1-(methylamino)-1,1-diphenylpropan-2-ol
CID 139632389
N,N',N",N"-tetramethyl-1-phenylmethanetriamine
CID 172823896
1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
1-N'-methyl-1-phenylethane-1,1-diamine
CID 143337584
1,1-difluoro-N-methyl-2-phenylpropan-2-amine
CID 80604912
(2,3,4,5-tetramethyl-4-phenylhexan-3-yl)benzene
CID 13047702
(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
2,3,3,3-tetrafluoro-N-methyl-2-phenylpropan-1-amine
CID 84735274
(2-fluoro-3,3,5-trimethylhexan-2-yl)benzene
CID 155030770
ethane;bis(trifluoromethylbenzene)
CID 142912000

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine (CID 66205754) is 1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine is CNC(c1ccccc1)(C(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine?
The InChIKey is VIFNBAZNNXLKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N/c1-9(2)11(16-3,12(13,14)15)10-7-5-4-6-8-10/h4-9,16H,1-3H3.
What are the key properties of 1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine?
1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine has a molecular weight of 231.26 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,3-dimethyl-2-phenylbutan-2-amine is sourced from PubChem (CID 66205754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).