N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline

C14H19N3O3 — CID 67501196

IUPACN-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline
SMILESO=[N+]([O-])c1ccccc1NCC1CN(C2CC2)CCO1
InChIInChI=1S/C14H19N3O3/c18-17(19)14-4-2-1-3-13(14)15-9-12-10-16(7-8-20-12)11-5-6-11/h1-4,11-12,15H,5-10H2
InChIKeyIRDYANYPDPSXDU-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.87
Rot. Bonds5

About N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline

N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline (PubChem CID 67501196) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline.

Molecular Properties

Compound NameN-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline
PubChem CID67501196
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline
SMILESO=[N+]([O-])c1ccccc1NCC1CN(C2CC2)CCO1
InChIInChI=1S/C14H19N3O3/c18-17(19)14-4-2-1-3-13(14)15-9-12-10-16(7-8-20-12)11-5-6-11/h1-4,11-12,15H,5-10H2
InChIKeyIRDYANYPDPSXDU-UHFFFAOYSA-N
XLogP1.87
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline?
The IUPAC name of N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline (CID 67501196) is N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline.
What is the SMILES notation for N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline?
The canonical SMILES for N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline is O=[N+]([O-])c1ccccc1NCC1CN(C2CC2)CCO1.
What is the InChIKey of N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline?
The InChIKey is IRDYANYPDPSXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-17(19)14-4-2-1-3-13(14)15-9-12-10-16(7-8-20-12)11-5-6-11/h1-4,11-12,15H,5-10H2.
What are the key properties of N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline?
N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline has a molecular weight of 277.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline is sourced from PubChem (CID 67501196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).