N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline

C15H23N3O3 — CID 170869990

IUPACN,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline
SMILESCN(C)c1ccc([N+](=O)[O-])cc1CCCN1CCOCC1
InChIInChI=1S/C15H23N3O3/c1-16(2)15-6-5-14(18(19)20)12-13(15)4-3-7-17-8-10-21-11-9-17/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyGLWRSEAIRTZAAR-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.93
Rot. Bonds6

About N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline

N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline (PubChem CID 170869990) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline
PubChem CID170869990
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline
SMILESCN(C)c1ccc([N+](=O)[O-])cc1CCCN1CCOCC1
InChIInChI=1S/C15H23N3O3/c1-16(2)15-6-5-14(18(19)20)12-13(15)4-3-7-17-8-10-21-11-9-17/h5-6,12H,3-4,7-11H2,1-2H3
InChIKeyGLWRSEAIRTZAAR-UHFFFAOYSA-N
XLogP1.93
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
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

2-(dimethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]-5-nitrobenzamide
CID 55906043
4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine
CID 170871274
2-[(dimethylamino)methyl]-N,N-dimethyl-4-nitroaniline
CID 69081137
N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline
CID 173013317
2-fluoro-N-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 2927743
2-(dimethylamino)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-5-nitrobenzamide
CID 31787443
4-[3-[1-(4-nitrophenyl)pyrrol-2-yl]propyl]morpholine
CID 170871113
3,3-dimethyl-1-(3-morpholin-4-ylpropyl)-5-nitroindol-2-one
CID 141173912
N-(3-morpholin-4-ylpropyl)-2,4-dinitrobenzamide
CID 3111269
N-[(2-methoxy-5-nitrophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43212568
4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine
CID 170869301
N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)propyl]-2-nitroaniline
CID 170862646

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline?
The IUPAC name of N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline (CID 170869990) is N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline.
What is the SMILES notation for N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline?
The canonical SMILES for N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline is CN(C)c1ccc([N+](=O)[O-])cc1CCCN1CCOCC1.
What is the InChIKey of N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline?
The InChIKey is GLWRSEAIRTZAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-16(2)15-6-5-14(18(19)20)12-13(15)4-3-7-17-8-10-21-11-9-17/h5-6,12H,3-4,7-11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline?
N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline has a molecular weight of 293.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline is sourced from PubChem (CID 170869990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).