N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine

C14H20F2N2O — CID 115523459

IUPACN-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine
SMILESFC(F)c1ccc(CNCCN2CCOCC2)cc1
InChIInChI=1S/C14H20F2N2O/c15-14(16)13-3-1-12(2-4-13)11-17-5-6-18-7-9-19-10-8-18/h1-4,14,17H,5-11H2
InChIKeyIYFVZNMVWSLXPJ-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.05
Rot. Bonds6

About N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine

N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 115523459) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine
PubChem CID115523459
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine
SMILESFC(F)c1ccc(CNCCN2CCOCC2)cc1
InChIInChI=1S/C14H20F2N2O/c15-14(16)13-3-1-12(2-4-13)11-17-5-6-18-7-9-19-10-8-18/h1-4,14,17H,5-11H2
InChIKeyIYFVZNMVWSLXPJ-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
CID 2995241
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[[4-(difluoromethyl)phenyl]methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 115523506
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
4-[(2-morpholin-4-ylethylamino)methyl]benzoic acid;dihydrochloride
CID 17159786
4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 28583134
N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 4719981
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 87737293

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine (CID 115523459) is N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine is FC(F)c1ccc(CNCCN2CCOCC2)cc1.
What is the InChIKey of N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is IYFVZNMVWSLXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c15-14(16)13-3-1-12(2-4-13)11-17-5-6-18-7-9-19-10-8-18/h1-4,14,17H,5-11H2.
What are the key properties of N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine?
N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 270.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 115523459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).