2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine

C15H21F3N2O2 — CID 169489196

IUPAC2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(C(F)(F)F)cc1N1CCOCC1
InChIInChI=1S/C15H21F3N2O2/c1-21-7-4-19-11-12-2-3-13(15(16,17)18)10-14(12)20-5-8-22-9-6-20/h2-3,10,19H,4-9,11H2,1H3
InChIKeyDHONTCVSFJDRKI-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.28
Rot. Bonds6

About 2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine

2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 169489196) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID169489196
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCOCCNCc1ccc(C(F)(F)F)cc1N1CCOCC1
InChIInChI=1S/C15H21F3N2O2/c1-21-7-4-19-11-12-2-3-13(15(16,17)18)10-14(12)20-5-8-22-9-6-20/h2-3,10,19H,4-9,11H2,1H3
InChIKeyDHONTCVSFJDRKI-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489195
N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 169489159
2-methoxy-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 114056606
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
CID 126483070
N-[[4-bromo-2-(1-oxo-1,4-thiazinan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63072055
N-[(4-bromo-2-morpholin-4-ylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133385182
1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol
CID 114847553
[4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol
CID 114852870
N-[[4-bromo-2-(1,4-thiazepan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63059908
N,4-dimethyl-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 138562982
N-[[4-bromo-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]methyl]-2-methoxyethanamine
CID 63070734
2-[2-[[[3,5-bis(trifluoromethyl)phenyl]methylamino]methyl]-4-(trifluoromethyl)phenyl]-N-(2-methoxyethyl)ethanamine
CID 142759718

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine (CID 169489196) is 2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine is COCCNCc1ccc(C(F)(F)F)cc1N1CCOCC1.
What is the InChIKey of 2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is DHONTCVSFJDRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-21-7-4-19-11-12-2-3-13(15(16,17)18)10-14(12)20-5-8-22-9-6-20/h2-3,10,19H,4-9,11H2,1H3.
What are the key properties of 2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine?
2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 318.34 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 169489196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).