N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine

C15H13F12N — CID 139965918

IUPACN,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine
SMILESCNC(c1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F)C(C)C
InChIInChI=1S/C15H13F12N/c1-5(2)11(28-3)6-4-7(12(16,17)18)9(14(22,23)24)10(15(25,26)27)8(6)13(19,20)21/h4-5,11,28H,1-3H3
InChIKeyREHYXJRUQVVWGT-UHFFFAOYSA-N
MW435.25 g/mol
LogP6.68
Rot. Bonds3

About N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine

N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 139965918) has the molecular formula C15H13F12N and a molecular weight of 435.25 g/mol. Its IUPAC name is N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine
PubChem CID139965918
Molecular FormulaC15H13F12N
Molecular Weight435.25 g/mol
Exact Mass435.09
IUPAC NameN,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine
SMILESCNC(c1cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F)C(C)C
InChIInChI=1S/C15H13F12N/c1-5(2)11(28-3)6-4-7(12(16,17)18)9(14(22,23)24)10(15(25,26)27)8(6)13(19,20)21/h4-5,11,28H,1-3H3
InChIKeyREHYXJRUQVVWGT-UHFFFAOYSA-N
XLogP6.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.25
LogP ≤ 56.68
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-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine (CID 139965918) is N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine is CNC(c1cc(C(F)(F)F)c(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-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is REHYXJRUQVVWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F12N/c1-5(2)11(28-3)6-4-7(12(16,17)18)9(14(22,23)24)10(15(25,26)27)8(6)13(19,20)21/h4-5,11,28H,1-3H3.
What are the key properties of N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine?
N,2-dimethyl-1-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 435.25 g/mol, XLogP of 6.68, 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-[2,3,4,5-tetrakis(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 139965918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).