2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline

C15H21F3N2 — CID 62574960

IUPAC2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline
SMILESCc1ccccc1NCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-12-5-2-3-7-14(12)19-8-10-20-9-4-6-13(11-20)15(16,17)18/h2-3,5,7,13,19H,4,6,8-11H2,1H3
InChIKeySKJCFDSXRNSGED-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.68
Rot. Bonds4

About 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline

2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline (PubChem CID 62574960) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline
PubChem CID62574960
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline
SMILESCc1ccccc1NCCN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H21F3N2/c1-12-5-2-3-7-14(12)19-8-10-20-9-4-6-13(11-20)15(16,17)18/h2-3,5,7,13,19H,4,6,8-11H2,1H3
InChIKeySKJCFDSXRNSGED-UHFFFAOYSA-N
XLogP3.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline (CID 62574960) is 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline is Cc1ccccc1NCCN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline?
The InChIKey is SKJCFDSXRNSGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-12-5-2-3-7-14(12)19-8-10-20-9-4-6-13(11-20)15(16,17)18/h2-3,5,7,13,19H,4,6,8-11H2,1H3.
What are the key properties of 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline?
2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline has a molecular weight of 286.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]aniline is sourced from PubChem (CID 62574960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).