N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline

C15H23N3O3 — CID 2959576

IUPACN-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline
SMILESCC(C)(C)CNc1cc(N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-15(2,3)11-16-13-10-12(4-5-14(13)18(19)20)17-6-8-21-9-7-17/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyZKBVDJKPVBCEEC-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.89
Rot. Bonds4

About N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline

N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline (PubChem CID 2959576) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline
PubChem CID2959576
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline
SMILESCC(C)(C)CNc1cc(N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-15(2,3)11-16-13-10-12(4-5-14(13)18(19)20)17-6-8-21-9-7-17/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyZKBVDJKPVBCEEC-UHFFFAOYSA-N
XLogP2.89
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-nitroaniline
CID 2870795
N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline
CID 2915968
[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]-phenylmethanone
CID 2973637
[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 2964847
N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline
CID 3108299
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
2-(5-morpholin-4-yl-2-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168608510
5-morpholin-4-yl-2-nitro-N-[(1R)-1-phenylethyl]aniline
CID 7099647
(3,4-dimethylphenyl)-[4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]methanone
CID 17324353
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
4-(4-iodo-3-nitrophenyl)morpholine
CID 121330336
N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide
CID 2887867

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline?
The IUPAC name of N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline (CID 2959576) is N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline.
What is the SMILES notation for N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline?
The canonical SMILES for N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline is CC(C)(C)CNc1cc(N2CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline?
The InChIKey is ZKBVDJKPVBCEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,3)11-16-13-10-12(4-5-14(13)18(19)20)17-6-8-21-9-7-17/h4-5,10,16H,6-9,11H2,1-3H3.
What are the key properties of N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline?
N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline has a molecular weight of 293.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline is sourced from PubChem (CID 2959576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).