N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline

C15H23N3O3 — CID 106620883

IUPACN-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCOCCN(CC1CCCN1)c1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C15H23N3O3/c1-12-10-14(18(19)20)5-6-15(12)17(8-9-21-2)11-13-4-3-7-16-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3
InChIKeyUYBRVPXDJDMWAA-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.11
Rot. Bonds7

About N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline

N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 106620883) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID106620883
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCOCCN(CC1CCCN1)c1ccc([N+](=O)[O-])cc1C
InChIInChI=1S/C15H23N3O3/c1-12-10-14(18(19)20)5-6-15(12)17(8-9-21-2)11-13-4-3-7-16-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3
InChIKeyUYBRVPXDJDMWAA-UHFFFAOYSA-N
XLogP2.11
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
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-methyl-4-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619611
N-(2-methoxyethyl)-2-methyl-6-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620942
2-chloro-4-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619709
2-methyl-4-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylaniline
CID 106641300
1-N-(2-methoxyethyl)-4-nitro-1-N-(pyrrolidin-2-ylmethyl)benzene-1,3-diamine
CID 106750035
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-nitrobenzamide
CID 106619376
N-(2-methoxyethyl)-5-nitro-N-(pyrrolidin-2-ylmethyl)-1,3-thiazol-2-amine
CID 106620958
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106618663
N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641222
N-[(2-methoxy-5-nitrophenyl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613582
5-methoxy-2-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619608
4-methyl-N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620616

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline (CID 106620883) is N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline is COCCN(CC1CCCN1)c1ccc([N+](=O)[O-])cc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is UYBRVPXDJDMWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-12-10-14(18(19)20)5-6-15(12)17(8-9-21-2)11-13-4-3-7-16-13/h5-6,10,13,16H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline?
N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 293.37 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 106620883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).