2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride

C15H23ClN2O3 — CID 120668632

IUPAC2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCOCC1CN(C(=O)C(N)c2ccc(C)cc2)CCO1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-3-5-12(6-4-11)14(16)15(18)17-7-8-20-13(9-17)10-19-2;/h3-6,13-14H,7-10,16H2,1-2H3;1H
InChIKeyDLQPBDACVLRZLD-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.29
Rot. Bonds4

About 2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride

2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride (PubChem CID 120668632) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
PubChem CID120668632
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCOCC1CN(C(=O)C(N)c2ccc(C)cc2)CCO1.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-11-3-5-12(6-4-11)14(16)15(18)17-7-8-20-13(9-17)10-19-2;/h3-6,13-14H,7-10,16H2,1-2H3;1H
InChIKeyDLQPBDACVLRZLD-UHFFFAOYSA-N
XLogP1.29
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-amino-2-(4-methylphenyl)acetyl]morpholin-2-yl]methyl]acetamide
CID 120668553
(2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 124721809
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203547
2-amino-2-(4-methylphenyl)-1-(2-thiophen-2-ylmorpholin-4-yl)ethanone;hydrochloride
CID 120668000
2-amino-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668203
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668195
4-amino-1-[2-(methoxymethyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120562971
2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668196
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120667995
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312840
2-amino-2-(4-methylphenyl)-1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120670473

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride (CID 120668632) is 2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride is COCC1CN(C(=O)C(N)c2ccc(C)cc2)CCO1.Cl.
What is the InChIKey of 2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride?
The InChIKey is DLQPBDACVLRZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-11-3-5-12(6-4-11)14(16)15(18)17-7-8-20-13(9-17)10-19-2;/h3-6,13-14H,7-10,16H2,1-2H3;1H.
What are the key properties of 2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride?
2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(methoxymethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 120668632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).