2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine

C15H22F3N3 — CID 63052102

IUPAC2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
SMILESCC(C)N1CCN(C(CN)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C15H22F3N3/c1-10(2)20-3-5-21(6-4-20)14(9-19)11-7-12(16)15(18)13(17)8-11/h7-8,10,14H,3-6,9,19H2,1-2H3
InChIKeyDPHLNGZGHSWSPM-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.13
Rot. Bonds4

About 2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine

2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine (PubChem CID 63052102) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
PubChem CID63052102
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine
SMILESCC(C)N1CCN(C(CN)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C15H22F3N3/c1-10(2)20-3-5-21(6-4-20)14(9-19)11-7-12(16)15(18)13(17)8-11/h7-8,10,14H,3-6,9,19H2,1-2H3
InChIKeyDPHLNGZGHSWSPM-UHFFFAOYSA-N
XLogP2.13
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine (CID 63052102) is 2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine is CC(C)N1CCN(C(CN)c2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine?
The InChIKey is DPHLNGZGHSWSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-10(2)20-3-5-21(6-4-20)14(9-19)11-7-12(16)15(18)13(17)8-11/h7-8,10,14H,3-6,9,19H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine?
2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine has a molecular weight of 301.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperazin-1-yl)-2-(3,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 63052102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).