N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine

C12H18N2O2 — CID 117111098

IUPACN-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine
SMILESCc1ccc(CNO)c(N2CCOCC2)c1
InChIInChI=1S/C12H18N2O2/c1-10-2-3-11(9-13-15)12(8-10)14-4-6-16-7-5-14/h2-3,8,13,15H,4-7,9H2,1H3
InChIKeyNHZALEZYXZNPQL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.31
Rot. Bonds3

About N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine

N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine (PubChem CID 117111098) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine.

Molecular Properties

Compound NameN-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine
PubChem CID117111098
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine
SMILESCc1ccc(CNO)c(N2CCOCC2)c1
InChIInChI=1S/C12H18N2O2/c1-10-2-3-11(9-13-15)12(8-10)14-4-6-16-7-5-14/h2-3,8,13,15H,4-7,9H2,1H3
InChIKeyNHZALEZYXZNPQL-UHFFFAOYSA-N
XLogP1.31
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-2-morpholin-4-ylphenyl)methanamine
CID 62308441
4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117108460
4-(4-methyl-2-morpholin-4-ylphenyl)butan-1-amine
CID 117115698
4-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120942564
2-amino-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120801276
(2S,5R)-5-(aminomethyl)-N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 120801274
1-(2-hydroxy-2-methylcyclopentyl)-3-[(4-methyl-2-morpholin-4-ylphenyl)methyl]urea
CID 167747139
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
1-(5-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117312505
4-[5-methyl-2-(pyrrolidin-2-ylmethyl)phenyl]morpholine
CID 117118281
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanol
CID 117115348
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117115575

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine?
The IUPAC name of N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine (CID 117111098) is N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine.
What is the SMILES notation for N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine?
The canonical SMILES for N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine is Cc1ccc(CNO)c(N2CCOCC2)c1.
What is the InChIKey of N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine?
The InChIKey is NHZALEZYXZNPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10-2-3-11(9-13-15)12(8-10)14-4-6-16-7-5-14/h2-3,8,13,15H,4-7,9H2,1H3.
What are the key properties of N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine?
N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine has a molecular weight of 222.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-morpholin-4-ylphenyl)methyl]hydroxylamine is sourced from PubChem (CID 117111098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).