2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline

C14H20ClN3O3 — CID 4780687

IUPAC2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline
SMILESCC(C)(CNc1ccc([N+](=O)[O-])cc1Cl)N1CCOCC1
InChIInChI=1S/C14H20ClN3O3/c1-14(2,17-5-7-21-8-6-17)10-16-13-4-3-11(18(19)20)9-12(13)15/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyLMOGJKSTJHQSCH-UHFFFAOYSA-N
MW313.78 g/mol
LogP2.77
Rot. Bonds5

About 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline

2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline (PubChem CID 4780687) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline
PubChem CID4780687
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC Name2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline
SMILESCC(C)(CNc1ccc([N+](=O)[O-])cc1Cl)N1CCOCC1
InChIInChI=1S/C14H20ClN3O3/c1-14(2,17-5-7-21-8-6-17)10-16-13-4-3-11(18(19)20)9-12(13)15/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyLMOGJKSTJHQSCH-UHFFFAOYSA-N
XLogP2.77
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 52.77
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

3-Chloro-4-morpholinoaniline
CID 108661
1-(2-Chloro-4-nitrophenyl)piperazine
CID 2771331
4-Chloro-5-morpholino-2-nitroaniline
CID 3779330
1-(2-Chloro-4-nitrophenyl)-4-methylpiperazine
CID 2837294
Morpholine, 4-(2-chloro-4-nitrophenyl)-
CID 108711
(2-Chloro-4-nitrophenyl)(3-morpholin-4-ylpropyl)amine
CID 2870846
(5-Chloro-2-nitrophenyl)(3-morpholin-4-ylpropyl)amine
CID 4562974
2-Chloro-4-(morpholin-4-yl)aniline
CID 18549575
1-(2-Chloro-4-nitrophenyl)-3-methylpiperazine hydrochloride
CID 2771392
4-(2-Chloro-6-nitrophenyl)morpholine
CID 2885594
N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
CID 1114483
1-Amino-3-[(2-chloro-4-nitrophenyl)amino]propan-2-ol
CID 2860116

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline?
The IUPAC name of 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline (CID 4780687) is 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline.
What is the SMILES notation for 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline?
The canonical SMILES for 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline is CC(C)(CNc1ccc([N+](=O)[O-])cc1Cl)N1CCOCC1.
What is the InChIKey of 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline?
The InChIKey is LMOGJKSTJHQSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-14(2,17-5-7-21-8-6-17)10-16-13-4-3-11(18(19)20)9-12(13)15/h3-4,9,16H,5-8,10H2,1-2H3.
What are the key properties of 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline?
2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline has a molecular weight of 313.78 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-nitroaniline is sourced from PubChem (CID 4780687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).