2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine

C10H19F3N2O — CID 103366177

IUPAC2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCC1COCCN1CC(CN)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-2-9-7-16-4-3-15(9)6-8(5-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyPGGAGRJHTLODFU-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.23
Rot. Bonds4

About 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine

2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366177) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366177
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCC1COCCN1CC(CN)C(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-2-9-7-16-4-3-15(9)6-8(5-14)10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyPGGAGRJHTLODFU-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-3-(morpholin-4-yl)propan-1-amine
CID 17609127
4,4-Difluoro-3-(morpholin-4-yl)butan-1-amine
CID 137698858
(4-(1,3-Difluoropropan-2-yl)morpholin-2-yl)methanamine
CID 67126662
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
2-methyl-N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 162424386
N-[[(2S)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 166684020
N-[[(2R)-4-(trifluoromethyl)morpholin-2-yl]methyl]propan-2-amine
CID 166926578
N-[[4-(2,2-difluoroethyl)morpholin-2-yl]methyl]propan-2-amine
CID 167249324
3,3-difluoro-1-(2-methoxyethyl)-N,5-dimethylpiperidin-4-amine;ethane
CID 169133997
3,3-Difluoro-1-(2-methoxyethyl)piperidin-4-amine
CID 170903503

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366177) is 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine is CCC1COCCN1CC(CN)C(F)(F)F.
What is the InChIKey of 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is PGGAGRJHTLODFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-2-9-7-16-4-3-15(9)6-8(5-14)10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).