N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine

C14H15N3O3 — CID 62195082

IUPACN-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine
SMILESCCNc1ccc(COc2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H15N3O3/c1-2-15-14-8-7-11(9-16-14)10-20-13-6-4-3-5-12(13)17(18)19/h3-9H,2,10H2,1H3,(H,15,16)
InChIKeyQREPXSMBPHUKPN-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.00
Rot. Bonds6

About N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine

N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine (PubChem CID 62195082) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine
PubChem CID62195082
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine
SMILESCCNc1ccc(COc2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C14H15N3O3/c1-2-15-14-8-7-11(9-16-14)10-20-13-6-4-3-5-12(13)17(18)19/h3-9H,2,10H2,1H3,(H,15,16)
InChIKeyQREPXSMBPHUKPN-UHFFFAOYSA-N
XLogP3.00
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.00
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'}

Analyze N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-5-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62194578
5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62194637
N-ethyl-5-[(6-methyl-2-nitro-3-pyridinyl)oxymethyl]pyridin-2-amine
CID 62187468
N-ethyl-5-[(2-fluoro-4-nitrophenoxy)methyl]pyridin-2-amine
CID 62195386
5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine
CID 62195013
5-[(2-fluoro-6-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 104832417
1-[[6-(ethylamino)-3-pyridinyl]methyl]-3-nitropyridin-2-one
CID 62193112
4-[(2-nitrophenoxy)methyl]-1,2-oxazole
CID 71413295
N-ethyl-6-(2-nitrophenoxy)pyridin-2-amine
CID 80875324
5-[(2-methyl-3-nitrophenoxy)methyl]pyridin-2-amine
CID 62195557
N-ethyl-5-[(4-ethylphenoxy)methyl]pyridin-2-amine
CID 55044783
1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 18551352

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine (CID 62195082) is N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine is CCNc1ccc(COc2ccccc2[N+](=O)[O-])cn1.
What is the InChIKey of N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine?
The InChIKey is QREPXSMBPHUKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-15-14-8-7-11(9-16-14)10-20-13-6-4-3-5-12(13)17(18)19/h3-9H,2,10H2,1H3,(H,15,16).
What are the key properties of N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine?
N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62195082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).