N-methyl-2-morpholin-4-yl-5-nitroaniline

C11H15N3O3 — CID 174765763

IUPACN-methyl-2-morpholin-4-yl-5-nitroaniline
SMILESCNc1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C11H15N3O3/c1-12-10-8-9(14(15)16)2-3-11(10)13-4-6-17-7-5-13/h2-3,8,12H,4-7H2,1H3
InChIKeyZUBFNMJKVXCJFH-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.47
Rot. Bonds3

About N-methyl-2-morpholin-4-yl-5-nitroaniline

N-methyl-2-morpholin-4-yl-5-nitroaniline (PubChem CID 174765763) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-methyl-2-morpholin-4-yl-5-nitroaniline.

Molecular Properties

Compound NameN-methyl-2-morpholin-4-yl-5-nitroaniline
PubChem CID174765763
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-methyl-2-morpholin-4-yl-5-nitroaniline
SMILESCNc1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C11H15N3O3/c1-12-10-8-9(14(15)16)2-3-11(10)13-4-6-17-7-5-13/h2-3,8,12H,4-7H2,1H3
InChIKeyZUBFNMJKVXCJFH-UHFFFAOYSA-N
XLogP1.47
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

N-(5-chloro-2-morpholin-4-ylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963255
2-morpholin-4-yl-5-nitrobenzaldehyde
CID 2794872
4-[2-(2-methylsulfinylethyl)-4-nitrophenyl]morpholine
CID 141441118
bis(2-morpholin-4-yl-4-nitrophenyl)methanone
CID 15355385
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
2-morpholin-4-yl-5-nitro-N-pentylbenzamide
CID 29196205
3-fluoro-4-morpholin-4-ylaniline;4-(2-fluoro-4-nitrophenyl)morpholine
CID 69365394
2-morpholin-4-yl-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 37266897
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 2978884
2-morpholin-4-yl-4-nitrobenzamide
CID 118024291
(2-morpholin-4-yl-5-nitrophenyl) hydrogen sulfite
CID 57221693
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-morpholin-4-yl-5-nitroaniline?
The IUPAC name of N-methyl-2-morpholin-4-yl-5-nitroaniline (CID 174765763) is N-methyl-2-morpholin-4-yl-5-nitroaniline.
What is the SMILES notation for N-methyl-2-morpholin-4-yl-5-nitroaniline?
The canonical SMILES for N-methyl-2-morpholin-4-yl-5-nitroaniline is CNc1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-methyl-2-morpholin-4-yl-5-nitroaniline?
The InChIKey is ZUBFNMJKVXCJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-12-10-8-9(14(15)16)2-3-11(10)13-4-6-17-7-5-13/h2-3,8,12H,4-7H2,1H3.
What are the key properties of N-methyl-2-morpholin-4-yl-5-nitroaniline?
N-methyl-2-morpholin-4-yl-5-nitroaniline has a molecular weight of 237.26 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-morpholin-4-yl-5-nitroaniline is sourced from PubChem (CID 174765763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).