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ABJLBMNCFKMPFU-UHFFFAOYSA-N

C15H21F3N2 — CID 157061422

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCCN(c1cc(C(F)(F)F)ccc1C)C1CCNCC1
InChIInChI=1S/C15H21F3N2/c1-3-20(13-6-8-19-9-7-13)14-10-12(15(16,17)18)5-4-11(14)2/h4-5,10,13,19H,3,6-9H2,1-2H3
InChIKeyABJLBMNCFKMPFU-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.59
Rot. Bonds3

About ABJLBMNCFKMPFU-UHFFFAOYSA-N

ABJLBMNCFKMPFU-UHFFFAOYSA-N (PubChem CID 157061422) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameABJLBMNCFKMPFU-UHFFFAOYSA-N
PubChem CID157061422
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine
SMILESCCN(c1cc(C(F)(F)F)ccc1C)C1CCNCC1
InChIInChI=1S/C15H21F3N2/c1-3-20(13-6-8-19-9-7-13)14-10-12(15(16,17)18)5-4-11(14)2/h4-5,10,13,19H,3,6-9H2,1-2H3
InChIKeyABJLBMNCFKMPFU-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ABJLBMNCFKMPFU-UHFFFAOYSA-N?
The IUPAC name of ABJLBMNCFKMPFU-UHFFFAOYSA-N (CID 157061422) is N-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine.
What is the SMILES notation for ABJLBMNCFKMPFU-UHFFFAOYSA-N?
The canonical SMILES for ABJLBMNCFKMPFU-UHFFFAOYSA-N is CCN(c1cc(C(F)(F)F)ccc1C)C1CCNCC1.
What is the InChIKey of ABJLBMNCFKMPFU-UHFFFAOYSA-N?
The InChIKey is ABJLBMNCFKMPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-3-20(13-6-8-19-9-7-13)14-10-12(15(16,17)18)5-4-11(14)2/h4-5,10,13,19H,3,6-9H2,1-2H3.
What are the key properties of ABJLBMNCFKMPFU-UHFFFAOYSA-N?
ABJLBMNCFKMPFU-UHFFFAOYSA-N has a molecular weight of 286.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ABJLBMNCFKMPFU-UHFFFAOYSA-N is sourced from PubChem (CID 157061422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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