2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine

C12H15F3N2 — CID 86676808

IUPAC2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine
SMILESCC(=NNC(C)(C)C)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3N2/c1-7(16-17-12(2,3)4)8-5-6-9(13)11(15)10(8)14/h5-6,17H,1-4H3
InChIKeyTTWKJIPWEKNXMQ-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.22
Rot. Bonds2

About 2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine

2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine (PubChem CID 86676808) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine
PubChem CID86676808
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine
SMILESCC(=NNC(C)(C)C)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H15F3N2/c1-7(16-17-12(2,3)4)8-5-6-9(13)11(15)10(8)14/h5-6,17H,1-4H3
InChIKeyTTWKJIPWEKNXMQ-UHFFFAOYSA-N
XLogP3.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine?
The IUPAC name of 2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine (CID 86676808) is 2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine?
The canonical SMILES for 2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine is CC(=NNC(C)(C)C)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine?
The InChIKey is TTWKJIPWEKNXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-7(16-17-12(2,3)4)8-5-6-9(13)11(15)10(8)14/h5-6,17H,1-4H3.
What are the key properties of 2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine?
2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine has a molecular weight of 244.26 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2,3,4-trifluorophenyl)ethylideneamino]propan-2-amine is sourced from PubChem (CID 86676808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).