N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline

C16H24N4O3 — CID 2915968

IUPACN-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline
SMILESO=[N+]([O-])c1ccc(N2CCCC2)cc1NCCN1CCOCC1
InChIInChI=1S/C16H24N4O3/c21-20(22)16-4-3-14(19-6-1-2-7-19)13-15(16)17-5-8-18-9-11-23-12-10-18/h3-4,13,17H,1-2,5-12H2
InChIKeyFJMJCPLTLOJKMA-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.94
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline

N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline (PubChem CID 2915968) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline
PubChem CID2915968
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline
SMILESO=[N+]([O-])c1ccc(N2CCCC2)cc1NCCN1CCOCC1
InChIInChI=1S/C16H24N4O3/c21-20(22)16-4-3-14(19-6-1-2-7-19)13-15(16)17-5-8-18-9-11-23-12-10-18/h3-4,13,17H,1-2,5-12H2
InChIKeyFJMJCPLTLOJKMA-UHFFFAOYSA-N
XLogP1.94
TPSA70.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.94
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

N-(2,2-dimethylpropyl)-5-morpholin-4-yl-2-nitroaniline
CID 2959576
5-(4-aminophenoxy)-N-(2-morpholin-4-ylethyl)-2-nitroaniline
CID 58905635
N-[(4-chlorophenyl)methyl]-5-morpholin-4-yl-2-nitroaniline
CID 2870795
5-(2-morpholin-4-ylethylamino)-2-nitrobenzonitrile
CID 115348699
4-nitro-3-(2-piperidin-1-ylethylamino)benzoic acid
CID 82769553
N-[2-(3-methoxyphenoxy)ethyl]-5-morpholin-4-yl-2-nitroaniline
CID 3108299
2-nitro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 60658869
N-[5-(4-acetylpiperazin-1-yl)-2-nitrophenyl]-2-morpholin-4-ylacetamide
CID 2887867
5-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-nitroaniline
CID 62376423
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-[3-(chloromethyl)-4-nitrophenyl]-1,4-oxazepane
CID 114057867
5-bromo-2-nitro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 65343244

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline (CID 2915968) is N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline is O=[N+]([O-])c1ccc(N2CCCC2)cc1NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline?
The InChIKey is FJMJCPLTLOJKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-20(22)16-4-3-14(19-6-1-2-7-19)13-15(16)17-5-8-18-9-11-23-12-10-18/h3-4,13,17H,1-2,5-12H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline?
N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline has a molecular weight of 320.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-nitro-5-pyrrolidin-1-ylaniline is sourced from PubChem (CID 2915968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).