(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C13H18N2O4 — CID 115413615

IUPAC(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC(CO)C2)c(N)c1
InChIInChI=1S/C13H18N2O4/c1-18-9-2-3-11(12(14)6-9)13(17)15-4-5-19-10(7-15)8-16/h2-3,6,10,16H,4-5,7-8,14H2,1H3
InChIKeyLVLBBMYIWJQABN-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.11
Rot. Bonds3

About (2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 115413615) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID115413615
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCOC(CO)C2)c(N)c1
InChIInChI=1S/C13H18N2O4/c1-18-9-2-3-11(12(14)6-9)13(17)15-4-5-19-10(7-15)8-16/h2-3,6,10,16H,4-5,7-8,14H2,1H3
InChIKeyLVLBBMYIWJQABN-UHFFFAOYSA-N
XLogP0.11
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208576
(4-amino-5-chloro-2-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 90103957
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 115413350
(4-amino-2-chlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205390
(2-amino-4-methoxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 115413260
[2-(hydroxymethyl)morpholin-4-yl]-(2-methoxy-4-nitrophenyl)methanone
CID 104783712
(2-amino-4-methoxyphenyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678357
(2-amino-4-methoxyphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115413472
(2-aminophenyl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 119945594
(2-bromo-4-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647327
[(2S)-2-(aminomethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 42252495
2-[4-(4-methoxy-2-propan-2-yloxybenzoyl)morpholin-2-yl]acetic acid
CID 120687891

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 115413615) is (2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is COc1ccc(C(=O)N2CCOC(CO)C2)c(N)c1.
What is the InChIKey of (2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is LVLBBMYIWJQABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-18-9-2-3-11(12(14)6-9)13(17)15-4-5-19-10(7-15)8-16/h2-3,6,10,16H,4-5,7-8,14H2,1H3.
What are the key properties of (2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 266.30 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 115413615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).