N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine

C14H14F9N — CID 139965971

IUPACN,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine
SMILESCNC(c1ccc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F)C(C)C
InChIInChI=1S/C14H14F9N/c1-6(2)11(24-3)7-4-5-8(12(15,16)17)10(14(21,22)23)9(7)13(18,19)20/h4-6,11,24H,1-3H3
InChIKeyDCKMBXPBFIZOQE-UHFFFAOYSA-N
MW367.26 g/mol
LogP5.66
Rot. Bonds3

About N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine

N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 139965971) has the molecular formula C14H14F9N and a molecular weight of 367.26 g/mol. Its IUPAC name is N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine
PubChem CID139965971
Molecular FormulaC14H14F9N
Molecular Weight367.26 g/mol
Exact Mass367.10
IUPAC NameN,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine
SMILESCNC(c1ccc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F)C(C)C
InChIInChI=1S/C14H14F9N/c1-6(2)11(24-3)7-4-5-8(12(15,16)17)10(14(21,22)23)9(7)13(18,19)20/h4-6,11,24H,1-3H3
InChIKeyDCKMBXPBFIZOQE-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.26
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine (CID 139965971) is N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine is CNC(c1ccc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F)C(C)C.
What is the InChIKey of N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is DCKMBXPBFIZOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F9N/c1-6(2)11(24-3)7-4-5-8(12(15,16)17)10(14(21,22)23)9(7)13(18,19)20/h4-6,11,24H,1-3H3.
What are the key properties of N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine?
N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 367.26 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-[2,3,4-tris(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 139965971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).