1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine

C15H21F3N2O2 — CID 95160732

IUPAC1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
SMILESCN1CCO[C@@H](CNCc2cccc(OCC(F)(F)F)c2)C1
InChIInChI=1S/C15H21F3N2O2/c1-20-5-6-21-14(10-20)9-19-8-12-3-2-4-13(7-12)22-11-15(16,17)18/h2-4,7,14,19H,5-6,8-11H2,1H3/t14-/m0/s1
InChIKeyXZWYLKKXGRJOCN-AWEZNQCLSA-N
MW318.34 g/mol
LogP2.05
Rot. Bonds6

About 1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine

1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine (PubChem CID 95160732) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
PubChem CID95160732
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
SMILESCN1CCO[C@@H](CNCc2cccc(OCC(F)(F)F)c2)C1
InChIInChI=1S/C15H21F3N2O2/c1-20-5-6-21-14(10-20)9-19-8-12-3-2-4-13(7-12)22-11-15(16,17)18/h2-4,7,14,19H,5-6,8-11H2,1H3/t14-/m0/s1
InChIKeyXZWYLKKXGRJOCN-AWEZNQCLSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95160740
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
1-[(2R)-4-methylmorpholin-2-yl]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
CID 95302096
1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95275069
1-(4-cyclopropylmorpholin-2-yl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 119124747
3-[[[(2S)-4-methylmorpholin-2-yl]methylamino]methyl]benzamide
CID 95329722
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 119123122
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587
N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine (CID 95160732) is 1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine is CN1CCO[C@@H](CNCc2cccc(OCC(F)(F)F)c2)C1.
What is the InChIKey of 1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine?
The InChIKey is XZWYLKKXGRJOCN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-20-5-6-21-14(10-20)9-19-8-12-3-2-4-13(7-12)22-11-15(16,17)18/h2-4,7,14,19H,5-6,8-11H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine?
1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine has a molecular weight of 318.34 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 95160732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).