2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine

C20H23F3N2O — CID 87737293

IUPAC2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine
SMILESCc1c(F)cc(-c2ccc(CNCCN3CCOCC3)cc2)c(F)c1F
InChIInChI=1S/C20H23F3N2O/c1-14-18(21)12-17(20(23)19(14)22)16-4-2-15(3-5-16)13-24-6-7-25-8-10-26-11-9-25/h2-5,12,24H,6-11,13H2,1H3
InChIKeyFVUXFAKDVLABBA-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.50
Rot. Bonds6

About 2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine

2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine (PubChem CID 87737293) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine
PubChem CID87737293
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine
SMILESCc1c(F)cc(-c2ccc(CNCCN3CCOCC3)cc2)c(F)c1F
InChIInChI=1S/C20H23F3N2O/c1-14-18(21)12-17(20(23)19(14)22)16-4-2-15(3-5-16)13-24-6-7-25-8-10-26-11-9-25/h2-5,12,24H,6-11,13H2,1H3
InChIKeyFVUXFAKDVLABBA-UHFFFAOYSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
N'-tert-butyl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethane-1,2-diamine
CID 87717111
N',N'-dimethyl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]propane-1,3-diamine
CID 87973113
N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine
CID 115523459
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
CID 2995241
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
4-[(2-morpholin-4-ylethylamino)methyl]benzoic acid;dihydrochloride
CID 17159786
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine (CID 87737293) is 2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine is Cc1c(F)cc(-c2ccc(CNCCN3CCOCC3)cc2)c(F)c1F.
What is the InChIKey of 2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine?
The InChIKey is FVUXFAKDVLABBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-14-18(21)12-17(20(23)19(14)22)16-4-2-15(3-5-16)13-24-6-7-25-8-10-26-11-9-25/h2-5,12,24H,6-11,13H2,1H3.
What are the key properties of 2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine?
2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine has a molecular weight of 364.41 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[[4-(2,3,5-trifluoro-4-methylphenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 87737293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).