[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine

C16H23F3N2 — CID 103505205

IUPAC[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)C1CCN(c2ccc(C(F)(F)F)cc2CN)CC1
InChIInChI=1S/C16H23F3N2/c1-11(2)12-5-7-21(8-6-12)15-4-3-14(16(17,18)19)9-13(15)10-20/h3-4,9,11-12H,5-8,10,20H2,1-2H3
InChIKeyNPGSDDUROAIOAX-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.04
Rot. Bonds3

About [2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine

[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine (PubChem CID 103505205) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is [2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine
PubChem CID103505205
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine
SMILESCC(C)C1CCN(c2ccc(C(F)(F)F)cc2CN)CC1
InChIInChI=1S/C16H23F3N2/c1-11(2)12-5-7-21(8-6-12)15-4-3-14(16(17,18)19)9-13(15)10-20/h3-4,9,11-12H,5-8,10,20H2,1-2H3
InChIKeyNPGSDDUROAIOAX-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine (CID 103505205) is [2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine is CC(C)C1CCN(c2ccc(C(F)(F)F)cc2CN)CC1.
What is the InChIKey of [2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine?
The InChIKey is NPGSDDUROAIOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-11(2)12-5-7-21(8-6-12)15-4-3-14(16(17,18)19)9-13(15)10-20/h3-4,9,11-12H,5-8,10,20H2,1-2H3.
What are the key properties of [2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine?
[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine has a molecular weight of 300.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 103505205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).