3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine

C9H17F3N2O — CID 103366144

IUPAC3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine
SMILESCC1COCCN1CC(CN)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7-6-15-3-2-14(7)5-8(4-13)9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyDGKBEAAXMSGJHZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.84
Rot. Bonds3

About 3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine

3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine (PubChem CID 103366144) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine
PubChem CID103366144
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine
SMILESCC1COCCN1CC(CN)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7-6-15-3-2-14(7)5-8(4-13)9(10,11)12/h7-8H,2-6,13H2,1H3
InChIKeyDGKBEAAXMSGJHZ-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Isobutyl-(3-morpholin-4-yl-propyl)-amine
CID 3151942
4-(Morpholin-4-yl)butan-2-amine
CID 16767299
2-Methyl-3-(morpholin-4-yl)propan-1-amine
CID 17609127
3-(Morpholin-4-yl)butan-1-amine
CID 20069556
4,4-Difluoro-3-(morpholin-4-yl)butan-1-amine
CID 137698858
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 61647279
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 57494007
(4-(1,3-Difluoropropan-2-yl)morpholin-2-yl)methanamine
CID 67126662
N-[[4-(2-fluoroethyl)morpholin-2-yl]methyl]propan-2-amine
CID 156334456
N-[[4-(2,2-difluoroethyl)morpholin-2-yl]methyl]-2-methylpropan-2-amine
CID 159141091
2-methyl-N-[[4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424213
2-methyl-N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424247

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine (CID 103366144) is 3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine is CC1COCCN1CC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine?
The InChIKey is DGKBEAAXMSGJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7-6-15-3-2-14(7)5-8(4-13)9(10,11)12/h7-8H,2-6,13H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine?
3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine has a molecular weight of 226.24 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(3-methylmorpholin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 103366144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).