N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine

C13H19N3O2 — CID 115553862

IUPACN-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine
SMILESCCN(c1c(C)cccc1[N+](=O)[O-])C1CCNC1
InChIInChI=1S/C13H19N3O2/c1-3-15(11-7-8-14-9-11)13-10(2)5-4-6-12(13)16(17)18/h4-6,11,14H,3,7-9H2,1-2H3
InChIKeyFVMXMPUMUOLEMC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.09
Rot. Bonds4

About N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine

N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine (PubChem CID 115553862) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine
PubChem CID115553862
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine
SMILESCCN(c1c(C)cccc1[N+](=O)[O-])C1CCNC1
InChIInChI=1S/C13H19N3O2/c1-3-15(11-7-8-14-9-11)13-10(2)5-4-6-12(13)16(17)18/h4-6,11,14H,3,7-9H2,1-2H3
InChIKeyFVMXMPUMUOLEMC-UHFFFAOYSA-N
XLogP2.09
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[ethyl(piperidin-4-yl)amino]-3-nitrobenzoic acid
CID 115932217
N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine
CID 103964777
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-6-nitroaniline
CID 115553906
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
2-(N-cyclopropyl-2-methyl-6-nitroanilino)acetic acid
CID 115551024
N-cyclopropyl-2-methyl-6-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641053
2-methyl-6-nitro-N-(piperidin-3-ylmethyl)-N-propylaniline
CID 106644069
N,2-dimethyl-N-(morpholin-2-ylmethyl)-6-nitroaniline
CID 115553948
4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 79175870
6-methyl-3-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 81135778
N-ethyl-N-(4-methyl-2-nitrophenyl)piperidin-3-amine
CID 63636312
N-ethyl-5-nitro-N-pyrrolidin-3-ylisoquinolin-8-amine
CID 103142103

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine (CID 115553862) is N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine is CCN(c1c(C)cccc1[N+](=O)[O-])C1CCNC1.
What is the InChIKey of N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine?
The InChIKey is FVMXMPUMUOLEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-15(11-7-8-14-9-11)13-10(2)5-4-6-12(13)16(17)18/h4-6,11,14H,3,7-9H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine?
N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine has a molecular weight of 249.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine is sourced from PubChem (CID 115553862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).