N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine

C16H15F12N — CID 139966042

IUPACN,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine
SMILESCNC(c1c(C(F)(F)F)c(C(F)(F)F)cc(C(F)(F)F)c1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C16H15F12N/c1-12(2,3)11(29-4)8-9(15(23,24)25)6(13(17,18)19)5-7(14(20,21)22)10(8)16(26,27)28/h5,11,29H,1-4H3
InChIKeyDLUVRNMVNSSAGU-UHFFFAOYSA-N
MW449.28 g/mol
LogP7.07
Rot. Bonds2

About N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine

N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 139966042) has the molecular formula C16H15F12N and a molecular weight of 449.28 g/mol. Its IUPAC name is N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine
PubChem CID139966042
Molecular FormulaC16H15F12N
Molecular Weight449.28 g/mol
Exact Mass449.10
IUPAC NameN,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine
SMILESCNC(c1c(C(F)(F)F)c(C(F)(F)F)cc(C(F)(F)F)c1C(F)(F)F)C(C)(C)C
InChIInChI=1S/C16H15F12N/c1-12(2,3)11(29-4)8-9(15(23,24)25)6(13(17,18)19)5-7(14(20,21)22)10(8)16(26,27)28/h5,11,29H,1-4H3
InChIKeyDLUVRNMVNSSAGU-UHFFFAOYSA-N
XLogP7.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.28
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-[2,3,4,6-tetrakis(trifluoromethyl)phenyl]propan-1-ol
CID 139965707
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 62802487
N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine
CID 139965918
2,2-dimethyl-1-[2,3,6-tris(trifluoromethyl)phenyl]propan-1-amine
CID 139965977
1-[3,5-bis(trifluoromethoxy)phenyl]-N,2,2-trimethylpropan-1-amine
CID 139965827
N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine
CID 139965971
1-(2,6-dimethoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 116810333
1-(3-fluoro-5-methylphenyl)-N,2,2-trimethylpropan-1-amine
CID 79703280
2,2,2-trifluoro-N-methyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 102709994
N,2,2-trimethyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 106783067
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxy-N,2-dimethylbutan-1-amine
CID 107289412
N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853824

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine (CID 139966042) is N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine is CNC(c1c(C(F)(F)F)c(C(F)(F)F)cc(C(F)(F)F)c1C(F)(F)F)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is DLUVRNMVNSSAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F12N/c1-12(2,3)11(29-4)8-9(15(23,24)25)6(13(17,18)19)5-7(14(20,21)22)10(8)16(26,27)28/h5,11,29H,1-4H3.
What are the key properties of N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine?
N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 449.28 g/mol, XLogP of 7.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-[2,3,5,6-tetrakis(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 139966042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).