2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone

C15H22N2O2 — CID 81374136

IUPAC2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone
SMILESCc1ccccc1[C@@H](C)NCC(=O)N1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-12-5-3-4-6-14(12)13(2)16-11-15(18)17-7-9-19-10-8-17/h3-6,13,16H,7-11H2,1-2H3/t13-/m1/s1
InChIKeyQGVDYXCAMXTNEV-CYBMUJFWSA-N
MW262.35 g/mol
LogP1.50
Rot. Bonds4

About 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone

2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone (PubChem CID 81374136) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone
PubChem CID81374136
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone
SMILESCc1ccccc1[C@@H](C)NCC(=O)N1CCOCC1
InChIInChI=1S/C15H22N2O2/c1-12-5-3-4-6-14(12)13(2)16-11-15(18)17-7-9-19-10-8-17/h3-6,13,16H,7-11H2,1-2H3/t13-/m1/s1
InChIKeyQGVDYXCAMXTNEV-CYBMUJFWSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone (CID 81374136) is 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone is Cc1ccccc1[C@@H](C)NCC(=O)N1CCOCC1.
What is the InChIKey of 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone?
The InChIKey is QGVDYXCAMXTNEV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-5-3-4-6-14(12)13(2)16-11-15(18)17-7-9-19-10-8-17/h3-6,13,16H,7-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone?
2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone has a molecular weight of 262.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 81374136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).