N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine

C15H23N3O2 — CID 10356159

IUPACN-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCN(CCc1ccc([N+](=O)[O-])cc1)CCN1CCCC1
InChIInChI=1S/C15H23N3O2/c1-16(12-13-17-9-2-3-10-17)11-8-14-4-6-15(7-5-14)18(19)20/h4-7H,2-3,8-13H2,1H3
InChIKeyVQCQQAKLVVWSCX-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.16
Rot. Bonds7

About N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine

N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (PubChem CID 10356159) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
PubChem CID10356159
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine
SMILESCN(CCc1ccc([N+](=O)[O-])cc1)CCN1CCCC1
InChIInChI=1S/C15H23N3O2/c1-16(12-13-17-9-2-3-10-17)11-8-14-4-6-15(7-5-14)18(19)20/h4-7H,2-3,8-13H2,1H3
InChIKeyVQCQQAKLVVWSCX-UHFFFAOYSA-N
XLogP2.16
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.16
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The IUPAC name of N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine (CID 10356159) is N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The canonical SMILES for N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine is CN(CCc1ccc([N+](=O)[O-])cc1)CCN1CCCC1.
What is the InChIKey of N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
The InChIKey is VQCQQAKLVVWSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-16(12-13-17-9-2-3-10-17)11-8-14-4-6-15(7-5-14)18(19)20/h4-7H,2-3,8-13H2,1H3.
What are the key properties of N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine?
N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine has a molecular weight of 277.37 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)ethanamine is sourced from PubChem (CID 10356159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).