N-(3-methoxy-4-nitrophenyl)morpholin-4-amine

C11H15N3O4 — CID 83026270

IUPACN-(3-methoxy-4-nitrophenyl)morpholin-4-amine
SMILESCOc1cc(NN2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-17-11-8-9(2-3-10(11)14(15)16)12-13-4-6-18-7-5-13/h2-3,8,12H,4-7H2,1H3
InChIKeyYUHWEPMQGOXSMC-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.26
Rot. Bonds4

About N-(3-methoxy-4-nitrophenyl)morpholin-4-amine

N-(3-methoxy-4-nitrophenyl)morpholin-4-amine (PubChem CID 83026270) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(3-methoxy-4-nitrophenyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(3-methoxy-4-nitrophenyl)morpholin-4-amine
PubChem CID83026270
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC NameN-(3-methoxy-4-nitrophenyl)morpholin-4-amine
SMILESCOc1cc(NN2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O4/c1-17-11-8-9(2-3-10(11)14(15)16)12-13-4-6-18-7-5-13/h2-3,8,12H,4-7H2,1H3
InChIKeyYUHWEPMQGOXSMC-UHFFFAOYSA-N
XLogP1.26
TPSA76.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-N-morpholin-4-ylbenzene-1,4-diamine
CID 83005812
N-(3-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-1-amine
CID 79106267
3-N-morpholin-4-yl-4-nitrobenzene-1,3-diamine
CID 91325508
N-[2-(azepan-1-yl)ethyl]-3-methoxy-4-nitroaniline
CID 63672136
N-(4-fluorophenyl)-3-methoxy-4-nitroaniline
CID 165348720
N-(3-methoxy-4-nitrophenyl)-2-phenyloxan-4-amine
CID 133474059
3-ethoxy-N-(2-morpholin-4-ylethyl)-4-nitroaniline
CID 63671087
4-N-(3-methoxy-4-nitrophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 79111166
N-cyclopropyl-N'-(3-methoxy-4-nitrophenyl)ethane-1,2-diamine
CID 63672015
4-[(3S,4R)-1-(3-methoxy-4-nitrophenyl)-4-methylpyrrolidin-3-yl]morpholine
CID 125131031
3-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]-4-nitroaniline
CID 107269116
N-(2-cyclopropylpropyl)-3-methoxy-4-nitroaniline
CID 115657198

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-4-nitrophenyl)morpholin-4-amine?
The IUPAC name of N-(3-methoxy-4-nitrophenyl)morpholin-4-amine (CID 83026270) is N-(3-methoxy-4-nitrophenyl)morpholin-4-amine.
What is the SMILES notation for N-(3-methoxy-4-nitrophenyl)morpholin-4-amine?
The canonical SMILES for N-(3-methoxy-4-nitrophenyl)morpholin-4-amine is COc1cc(NN2CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(3-methoxy-4-nitrophenyl)morpholin-4-amine?
The InChIKey is YUHWEPMQGOXSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-11-8-9(2-3-10(11)14(15)16)12-13-4-6-18-7-5-13/h2-3,8,12H,4-7H2,1H3.
What are the key properties of N-(3-methoxy-4-nitrophenyl)morpholin-4-amine?
N-(3-methoxy-4-nitrophenyl)morpholin-4-amine has a molecular weight of 253.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-4-nitrophenyl)morpholin-4-amine is sourced from PubChem (CID 83026270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).