[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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Related Compounds

[5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
CID 169490391
[2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine
CID 43528577
1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol
CID 81096091
1-[1-[2-amino-4-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 106835243
2-[1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227070
[4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932063
[5-methyl-2-(4-propylpiperidin-1-yl)phenyl]methanamine
CID 107926173
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanamine
CID 103976672
1-[1-[2-(aminomethyl)-4-bromophenyl]pyrrolidin-3-yl]ethanol
CID 114889778
[2-(3,5-diethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 82696807
[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 68512051
[2-(4-tert-butylpiperidin-1-yl)-5-methylphenyl]methanamine
CID 107926168

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).