N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C17H26F3N3O — CID 139750708

IUPACN-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCNCCN(Cc1ccc(N2CCOCC2)cc1)CC(F)(F)F
InChIInChI=1S/C17H26F3N3O/c1-2-21-7-8-22(14-17(18,19)20)13-15-3-5-16(6-4-15)23-9-11-24-12-10-23/h3-6,21H,2,7-14H2,1H3
InChIKeyZOPCBZOYVVIKTC-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.50
Rot. Bonds8

About N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 139750708) has the molecular formula C17H26F3N3O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID139750708
Molecular FormulaC17H26F3N3O
Molecular Weight345.41 g/mol
Exact Mass345.20
IUPAC NameN-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCNCCN(Cc1ccc(N2CCOCC2)cc1)CC(F)(F)F
InChIInChI=1S/C17H26F3N3O/c1-2-21-7-8-22(14-17(18,19)20)13-15-3-5-16(6-4-15)23-9-11-24-12-10-23/h3-6,21H,2,7-14H2,1H3
InChIKeyZOPCBZOYVVIKTC-UHFFFAOYSA-N
XLogP2.50
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-ethylphenyl)morpholine
CID 20576442
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
N'-tert-butyl-N-(4-morpholin-4-ylphenyl)ethane-1,2-diamine
CID 107444694
N-butyl-4-morpholin-4-ylaniline
CID 28675754
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-sulfonamide
CID 134025746
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-sulfonamide
CID 134025751
N-methyl-2-[(4-morpholin-4-ylphenyl)methylamino]ethanesulfonamide
CID 102674921
(E)-N-[(4-morpholin-4-ylphenyl)methyl]pent-3-en-1-amine
CID 115629182
(4-morpholin-4-ylphenyl)methanol
CID 2776456
N-fluoro-4-morpholin-4-ylaniline
CID 141098997
N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 22081058
3-[[4-(diethylaminomethyl)benzoyl]amino]-4-methyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 174437444

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 139750708) is N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCNCCN(Cc1ccc(N2CCOCC2)cc1)CC(F)(F)F.
What is the InChIKey of N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is ZOPCBZOYVVIKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O/c1-2-21-7-8-22(14-17(18,19)20)13-15-3-5-16(6-4-15)23-9-11-24-12-10-23/h3-6,21H,2,7-14H2,1H3.
What are the key properties of N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 345.41 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(4-morpholin-4-ylphenyl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 139750708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).