[4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol

C14H19F3N2O2 — CID 102932063

IUPAC[4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2ccc(C(F)(F)F)cc2CN)CC(CO)O1
InChIInChI=1S/C14H19F3N2O2/c1-9-6-19(7-12(8-20)21-9)13-3-2-11(14(15,16)17)4-10(13)5-18/h2-4,9,12,20H,5-8,18H2,1H3
InChIKeyPNHIZOGPLMOLNZ-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.75
Rot. Bonds3

About [4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol

[4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102932063) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is [4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102932063
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name[4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2ccc(C(F)(F)F)cc2CN)CC(CO)O1
InChIInChI=1S/C14H19F3N2O2/c1-9-6-19(7-12(8-20)21-9)13-3-2-11(14(15,16)17)4-10(13)5-18/h2-4,9,12,20H,5-8,18H2,1H3
InChIKeyPNHIZOGPLMOLNZ-UHFFFAOYSA-N
XLogP1.75
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102935226
2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzaldehyde
CID 18455608
[4-[4-(aminomethyl)-2,6-difluorophenyl]-6-methylmorpholin-2-yl]methanol
CID 102932075
[4-[4-(aminomethyl)pyridazin-3-yl]-6-methylmorpholin-2-yl]methanol
CID 102932038
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
CID 102933176
1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-4-methylpiperidin-4-ol
CID 81096091
[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 103505205
[4-[3-(aminomethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932040
2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarbothioamide
CID 107935325
[2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine
CID 169489143
2-[1-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanol
CID 107227070
[5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]phenyl]methanamine
CID 169490391

Frequently Asked Questions

What is the IUPAC name of [4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol (CID 102932063) is [4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol is CC1CN(c2ccc(C(F)(F)F)cc2CN)CC(CO)O1.
What is the InChIKey of [4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is PNHIZOGPLMOLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9-6-19(7-12(8-20)21-9)13-3-2-11(14(15,16)17)4-10(13)5-18/h2-4,9,12,20H,5-8,18H2,1H3.
What are the key properties of [4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol?
[4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 304.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102932063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).