1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine

C14H19F3N2O — CID 63051875

IUPAC1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
SMILESCC(CN1CCOCC1)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H19F3N2O/c1-10(9-19-2-4-20-5-3-19)18-8-11-6-12(15)14(17)13(16)7-11/h6-7,10,18H,2-5,8-9H2,1H3
InChIKeyAXFGPNPHCUEHKM-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.91
Rot. Bonds5

About 1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine

1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine (PubChem CID 63051875) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
PubChem CID63051875
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
SMILESCC(CN1CCOCC1)NCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H19F3N2O/c1-10(9-19-2-4-20-5-3-19)18-8-11-6-12(15)14(17)13(16)7-11/h6-7,10,18H,2-5,8-9H2,1H3
InChIKeyAXFGPNPHCUEHKM-UHFFFAOYSA-N
XLogP1.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-5-methylphenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 104851456
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 43675675
1-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 62699740
N-[(2,4-dichlorophenyl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 43675759
N-[4-[(1-morpholin-4-ylpropan-2-ylamino)methyl]phenyl]acetamide
CID 43675757
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propan-1-ol
CID 94999639
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 112688776
N-[(4-bromo-3-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 81002797
N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067
N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 115607201
1-pyrazol-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051559
N-[(5-ethylfuran-2-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 62345255

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine?
The IUPAC name of 1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine (CID 63051875) is 1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for 1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine?
The canonical SMILES for 1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine is CC(CN1CCOCC1)NCc1cc(F)c(F)c(F)c1.
What is the InChIKey of 1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine?
The InChIKey is AXFGPNPHCUEHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-10(9-19-2-4-20-5-3-19)18-8-11-6-12(15)14(17)13(16)7-11/h6-7,10,18H,2-5,8-9H2,1H3.
What are the key properties of 1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine?
1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine has a molecular weight of 288.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 63051875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).