3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride

C19H25Cl2F3N2O2 — CID 17195962

IUPAC3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cccc(-c2ccc(CNCCCN3CCOCC3)o2)c1
InChIInChI=1S/C19H23F3N2O2.2ClH/c20-19(21,22)16-4-1-3-15(13-16)18-6-5-17(26-18)14-23-7-2-8-24-9-11-25-12-10-24;;/h1,3-6,13,23H,2,7-12,14H2;2*1H
InChIKeyMZLJIHLKLWAPTE-UHFFFAOYSA-N
MW441.32 g/mol
LogP4.62
Rot. Bonds7

About 3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride

3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride (PubChem CID 17195962) has the molecular formula C19H25Cl2F3N2O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride
PubChem CID17195962
Molecular FormulaC19H25Cl2F3N2O2
Molecular Weight441.32 g/mol
Exact Mass440.12
IUPAC Name3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride
SMILESCl.Cl.FC(F)(F)c1cccc(-c2ccc(CNCCCN3CCOCC3)o2)c1
InChIInChI=1S/C19H23F3N2O2.2ClH/c20-19(21,22)16-4-1-3-15(13-16)18-6-5-17(26-18)14-23-7-2-8-24-9-11-25-12-10-24;;/h1,3-6,13,23H,2,7-12,14H2;2*1H
InChIKeyMZLJIHLKLWAPTE-UHFFFAOYSA-N
XLogP4.62
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-morpholin-4-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine;dihydrochloride
CID 6456966
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
3-methyl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17210670
4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine
CID 170871315
1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride
CID 17151637
N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-2-amine;hydrochloride
CID 17156683
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 43182304
1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride
CID 17333534
N-[(1-methylimidazol-2-yl)methyl]-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 75519213
3-morpholin-4-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]propan-1-amine
CID 134084462
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
(1S)-1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639329

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride?
The IUPAC name of 3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride (CID 17195962) is 3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride?
The canonical SMILES for 3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride is Cl.Cl.FC(F)(F)c1cccc(-c2ccc(CNCCCN3CCOCC3)o2)c1.
What is the InChIKey of 3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride?
The InChIKey is MZLJIHLKLWAPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O2.2ClH/c20-19(21,22)16-4-1-3-15(13-16)18-6-5-17(26-18)14-23-7-2-8-24-9-11-25-12-10-24;;/h1,3-6,13,23H,2,7-12,14H2;2*1H.
What are the key properties of 3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride?
3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride has a molecular weight of 441.32 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]propan-1-amine;dihydrochloride is sourced from PubChem (CID 17195962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).