(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C13H18N2O3 — CID 81206264

IUPAC(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCc1cccc(N)c1C(=O)N1CCOC(CO)C1
InChIInChI=1S/C13H18N2O3/c1-9-3-2-4-11(14)12(9)13(17)15-5-6-18-10(7-15)8-16/h2-4,10,16H,5-8,14H2,1H3
InChIKeyKGTFMRGNJFVPSL-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.41
Rot. Bonds2

About (2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81206264) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81206264
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCc1cccc(N)c1C(=O)N1CCOC(CO)C1
InChIInChI=1S/C13H18N2O3/c1-9-3-2-4-11(14)12(9)13(17)15-5-6-18-10(7-15)8-16/h2-4,10,16H,5-8,14H2,1H3
InChIKeyKGTFMRGNJFVPSL-UHFFFAOYSA-N
XLogP0.41
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hydroxymethyl)morpholine-4-carbonyl]-3,6-dimethylbenzoic acid
CID 103429192
(2,6-dichlorophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207971
(2-bromo-3-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 103855429
(2-amino-6-methylphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666922
(7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205975
(2-amino-6-methylphenyl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 43592329
(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211671
(2,3-dihydroxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 114344564
(2-bromophenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203060
(2-amino-6-methylphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416766
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
3-[2-(hydroxymethyl)morpholine-4-carbonyl]benzenecarbothioamide
CID 81203400

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81206264) is (2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is Cc1cccc(N)c1C(=O)N1CCOC(CO)C1.
What is the InChIKey of (2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is KGTFMRGNJFVPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-3-2-4-11(14)12(9)13(17)15-5-6-18-10(7-15)8-16/h2-4,10,16H,5-8,14H2,1H3.
What are the key properties of (2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 250.30 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methylphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81206264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).