1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine

C15H23N3O3 — CID 43096827

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine
SMILESCCN1CCCC1CNCc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-3-17-8-4-5-13(17)11-16-10-12-6-7-15(21-2)14(9-12)18(19)20/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3
InChIKeyAJPQLHKJXXIQPR-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.18
Rot. Bonds7

About 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine

1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine (PubChem CID 43096827) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine
PubChem CID43096827
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine
SMILESCCN1CCCC1CNCc1ccc(OC)c([N+](=O)[O-])c1
InChIInChI=1S/C15H23N3O3/c1-3-17-8-4-5-13(17)11-16-10-12-6-7-15(21-2)14(9-12)18(19)20/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3
InChIKeyAJPQLHKJXXIQPR-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
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-ethoxy-3-methoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628263
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(3-methoxy-4-propoxyphenyl)methyl]methanamine
CID 29241785
N-[(3,4-diethoxyphenyl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]methanamine
CID 51628283
1-(1-ethylpyrrolidin-2-yl)-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]methanamine;dihydrochloride
CID 17213871
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine
CID 834575
3-[1-[(4-methoxy-3-nitrophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 62466930
1-(1-ethylpyrrolidin-2-yl)-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 17213676
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]methanamine
CID 51627790
N-[(4-methoxy-3-nitrophenyl)methyl]propan-1-amine
CID 29045280
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 979882
[1-[(4-methoxy-3-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116637425
N-[(3-bromo-4-propoxyphenyl)methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 29241418

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine (CID 43096827) is 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine is CCN1CCCC1CNCc1ccc(OC)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine?
The InChIKey is AJPQLHKJXXIQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-17-8-4-5-13(17)11-16-10-12-6-7-15(21-2)14(9-12)18(19)20/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine has a molecular weight of 293.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-[(4-methoxy-3-nitrophenyl)methyl]methanamine is sourced from PubChem (CID 43096827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).