2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol

C17H27NO2 — CID 129268164

IUPAC2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol
SMILESCC(C)c1ccc(N2C[C@@H](C(C)(C)O)O[C@@H](C)C2)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)14-6-8-15(9-7-14)18-10-13(3)20-16(11-18)17(4,5)19/h6-9,12-13,16,19H,10-11H2,1-5H3/t13-,16-/m0/s1
InChIKeyLKTYCIGHKXJRTM-BBRMVZONSA-N
MW277.41 g/mol
LogP3.17
Rot. Bonds3

About 2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol

2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol (PubChem CID 129268164) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol
PubChem CID129268164
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol
SMILESCC(C)c1ccc(N2C[C@@H](C(C)(C)O)O[C@@H](C)C2)cc1
InChIInChI=1S/C17H27NO2/c1-12(2)14-6-8-15(9-7-14)18-10-13(3)20-16(11-18)17(4,5)19/h6-9,12-13,16,19H,10-11H2,1-5H3/t13-,16-/m0/s1
InChIKeyLKTYCIGHKXJRTM-BBRMVZONSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol (CID 129268164) is 2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol is CC(C)c1ccc(N2C[C@@H](C(C)(C)O)O[C@@H](C)C2)cc1.
What is the InChIKey of 2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol?
The InChIKey is LKTYCIGHKXJRTM-BBRMVZONSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)14-6-8-15(9-7-14)18-10-13(3)20-16(11-18)17(4,5)19/h6-9,12-13,16,19H,10-11H2,1-5H3/t13-,16-/m0/s1.
What are the key properties of 2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol?
2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6S)-6-methyl-4-(4-propan-2-ylphenyl)morpholin-2-yl]propan-2-ol is sourced from PubChem (CID 129268164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).