(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine

C15H21F3N2O — CID 95327850

IUPAC(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-11(19-9-14-10-20(2)7-8-21-14)12-3-5-13(6-4-12)15(16,17)18/h3-6,11,14,19H,7-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyMLLQHKXCKVODJJ-SMDDNHRTSA-N
MW302.34 g/mol
LogP2.69
Rot. Bonds4

About (1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine

(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 95327850) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is (1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID95327850
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
SMILESC[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-11(19-9-14-10-20(2)7-8-21-14)12-3-5-13(6-4-12)15(16,17)18/h3-6,11,14,19H,7-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyMLLQHKXCKVODJJ-SMDDNHRTSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 95327851
(1R)-1-(4-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81359066
1-(3,4-dichlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78960515
1-(4-chloro-3-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 83069145
N-[(4-methylmorpholin-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 79079935
3-[1-[(4-methylmorpholin-2-yl)methylamino]ethyl]phenol
CID 79083417
(1S)-1-(3-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81381423
(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383986
(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657
(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 95291844
N-[[(2S)-4-methylmorpholin-2-yl]methyl]propan-2-amine
CID 96645037
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347515

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of (1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine (CID 95327850) is (1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for (1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for (1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine is C[C@H](NC[C@@H]1CN(C)CCO1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is MLLQHKXCKVODJJ-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(19-9-14-10-20(2)7-8-21-14)12-3-5-13(6-4-12)15(16,17)18/h3-6,11,14,19H,7-10H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of (1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine?
(1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 302.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 95327850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).