(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone

C13H18N2O3 — CID 119945594

IUPAC(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
SMILESCOCC1CN(C(=O)c2ccccc2N)CCO1
InChIInChI=1S/C13H18N2O3/c1-17-9-10-8-15(6-7-18-10)13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9,14H2,1H3
InChIKeyXDSBSTCPYXCZIB-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.76
Rot. Bonds3

About (2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone

(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone (PubChem CID 119945594) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
PubChem CID119945594
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
SMILESCOCC1CN(C(=O)c2ccccc2N)CCO1
InChIInChI=1S/C13H18N2O3/c1-17-9-10-8-15(6-7-18-10)13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9,14H2,1H3
InChIKeyXDSBSTCPYXCZIB-UHFFFAOYSA-N
XLogP0.76
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-1-[2-(methoxymethyl)morpholin-4-yl]propan-1-one
CID 120610994
(2-aminophenyl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone;dihydrochloride
CID 119947134
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115413615
methyl 2-[4-(2-amino-5-chlorobenzoyl)morpholin-2-yl]acetate
CID 115533261
(2-amino-5-fluorophenyl)-(2-ethylmorpholin-4-yl)methanone
CID 43562755
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
[3-(hydroxymethyl)-4-methylphenyl]-[(2R)-2-(methoxymethyl)morpholin-4-yl]methanone
CID 124737173
[2-(aminomethyl)morpholin-4-yl]-naphthalen-1-ylmethanone
CID 61339139
[(2S)-2-(aminomethyl)morpholin-4-yl]-(2-fluorophenyl)methanone
CID 42252423
[2-(aminomethyl)morpholin-4-yl]-(2-bromo-3-methylphenyl)methanone
CID 107983238
[(2R)-2-ethylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 94023356
[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 81212035

Frequently Asked Questions

What is the IUPAC name of (2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone (CID 119945594) is (2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone is COCC1CN(C(=O)c2ccccc2N)CCO1.
What is the InChIKey of (2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone?
The InChIKey is XDSBSTCPYXCZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-9-10-8-15(6-7-18-10)13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9,14H2,1H3.
What are the key properties of (2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone?
(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone has a molecular weight of 250.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 119945594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).