(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine

C17H28N2O2 — CID 78996510

IUPAC(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
SMILESCc1ccc(OCC2CN(C(C)C)CCO2)c([C@H](C)N)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)19-7-8-20-15(10-19)11-21-17-6-5-13(3)9-16(17)14(4)18/h5-6,9,12,14-15H,7-8,10-11,18H2,1-4H3/t14-,15?/m0/s1
InChIKeyKOLFKIYDTIRENE-MLCCFXAWSA-N
MW292.42 g/mol
LogP2.50
Rot. Bonds5

About (1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine

(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine (PubChem CID 78996510) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is (1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
PubChem CID78996510
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
SMILESCc1ccc(OCC2CN(C(C)C)CCO2)c([C@H](C)N)c1
InChIInChI=1S/C17H28N2O2/c1-12(2)19-7-8-20-15(10-19)11-21-17-6-5-13(3)9-16(17)14(4)18/h5-6,9,12,14-15H,7-8,10-11,18H2,1-4H3/t14-,15?/m0/s1
InChIKeyKOLFKIYDTIRENE-MLCCFXAWSA-N
XLogP2.50
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine with MolForge

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Related Compounds

1-[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171877
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
4-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533676
4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487
1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716334
3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107673545
[6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 79162914
[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535557
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
1-[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 64535499
[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535556
2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107700549

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of (1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine (CID 78996510) is (1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for (1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine is Cc1ccc(OCC2CN(C(C)C)CCO2)c([C@H](C)N)c1.
What is the InChIKey of (1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is KOLFKIYDTIRENE-MLCCFXAWSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)19-7-8-20-15(10-19)11-21-17-6-5-13(3)9-16(17)14(4)18/h5-6,9,12,14-15H,7-8,10-11,18H2,1-4H3/t14-,15?/m0/s1.
What are the key properties of (1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine?
(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 292.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 78996510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).