2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol

C12H17N3O4 — CID 163755616

IUPAC2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol
SMILESNc1ccc(N2CCOCC2)c([N+](=O)[O-])c1CCO
InChIInChI=1S/C12H17N3O4/c13-10-1-2-11(14-4-7-19-8-5-14)12(15(17)18)9(10)3-6-16/h1-2,16H,3-8,13H2
InChIKeyLTUHNFYVYNMIGY-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.55
Rot. Bonds4

About 2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol

2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol (PubChem CID 163755616) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol.

Molecular Properties

Compound Name2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol
PubChem CID163755616
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol
SMILESNc1ccc(N2CCOCC2)c([N+](=O)[O-])c1CCO
InChIInChI=1S/C12H17N3O4/c13-10-1-2-11(14-4-7-19-8-5-14)12(15(17)18)9(10)3-6-16/h1-2,16H,3-8,13H2
InChIKeyLTUHNFYVYNMIGY-UHFFFAOYSA-N
XLogP0.55
TPSA101.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-morpholin-4-yl-3-nitrophenyl)methanol chloride
CID 45108369
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
N-methyl-2-morpholin-4-yl-5-nitroaniline
CID 174765763
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394
2-morpholin-4-yl-4-nitrobenzamide
CID 118024291
bis(2-morpholin-4-yl-4-nitrophenyl)methanone
CID 15355385
4-(4-nitro-2,1,3-benzoselenadiazol-5-yl)morpholine
CID 5240655
4-[2-(2-methylsulfinylethyl)-4-nitrophenyl]morpholine
CID 141441118
5-methyl-2-morpholin-4-ylaniline
CID 18952141
(2-morpholin-4-yl-5-nitrophenyl) hydrogen sulfite
CID 57221693
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol?
The IUPAC name of 2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol (CID 163755616) is 2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol.
What is the SMILES notation for 2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol?
The canonical SMILES for 2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol is Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1CCO.
What is the InChIKey of 2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol?
The InChIKey is LTUHNFYVYNMIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c13-10-1-2-11(14-4-7-19-8-5-14)12(15(17)18)9(10)3-6-16/h1-2,16H,3-8,13H2.
What are the key properties of 2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol?
2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol has a molecular weight of 267.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-morpholin-4-yl-2-nitrophenyl)ethanol is sourced from PubChem (CID 163755616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).