1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

C14H19F3N2O2 — CID 95275069

IUPAC1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCN1CCO[C@H](CNCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H19F3N2O2/c1-19-6-7-20-13(10-19)9-18-8-11-2-4-12(5-3-11)21-14(15,16)17/h2-5,13,18H,6-10H2,1H3/t13-/m1/s1
InChIKeyPXFHRKMDJHCHHF-CYBMUJFWSA-N
MW304.31 g/mol
LogP2.01
Rot. Bonds5

About 1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 95275069) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID95275069
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESCN1CCO[C@H](CNCc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H19F3N2O2/c1-19-6-7-20-13(10-19)9-18-8-11-2-4-12(5-3-11)21-14(15,16)17/h2-5,13,18H,6-10H2,1H3/t13-/m1/s1
InChIKeyPXFHRKMDJHCHHF-CYBMUJFWSA-N
XLogP2.01
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.01
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
(1S)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 98758883
1-(4-methylmorpholin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 78943185
1-[(2S)-4-methylmorpholin-2-yl]-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]methanamine
CID 95160732
N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline
CID 78942834
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzamide
CID 71933164
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943139
N-[(3-methoxyphenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95334871
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 79032915
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
2-[(4-methylmorpholin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111091294
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 61212894

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine (CID 95275069) is 1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine is CN1CCO[C@H](CNCc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is PXFHRKMDJHCHHF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-19-6-7-20-13(10-19)9-18-8-11-2-4-12(5-3-11)21-14(15,16)17/h2-5,13,18H,6-10H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 304.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 95275069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).