2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline

C14H15N3O3 — CID 43720075

IUPAC2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline
SMILESCOc1cc([N+](=O)[O-])ccc1NC(C)c1ccncc1
InChIInChI=1S/C14H15N3O3/c1-10(11-5-7-15-8-6-11)16-13-4-3-12(17(18)19)9-14(13)20-2/h3-10,16H,1-2H3
InChIKeyWTBIBVRUKBXDPU-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.17
Rot. Bonds5

About 2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline

2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline (PubChem CID 43720075) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline
PubChem CID43720075
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline
SMILESCOc1cc([N+](=O)[O-])ccc1NC(C)c1ccncc1
InChIInChI=1S/C14H15N3O3/c1-10(11-5-7-15-8-6-11)16-13-4-3-12(17(18)19)9-14(13)20-2/h3-10,16H,1-2H3
InChIKeyWTBIBVRUKBXDPU-UHFFFAOYSA-N
XLogP3.17
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.17
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

2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 43717789
N-[1-(2-fluorophenyl)ethyl]-2-methoxy-4-nitroaniline
CID 43720078
4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43396000
2-methoxy-N-(3-methylbutyl)-4-nitroaniline
CID 43720047
1-N',1-N'-diethyl-1-N-(2-methoxy-4-nitrophenyl)ethane-1,1-diamine;hydrochloride
CID 67922786
3-methyl-5-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 62477893
2-(2-methoxy-4-nitroanilino)-2-phenylacetic acid
CID 70136769
2,6-dichloro-4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 106891428
4-chloro-2-methoxy-5-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 43191802
2,4-difluoro-5-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43725169
N-(2-methoxy-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774306
N-(2-methoxy-4-nitrophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066743

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline (CID 43720075) is 2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline is COc1cc([N+](=O)[O-])ccc1NC(C)c1ccncc1.
What is the InChIKey of 2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline?
The InChIKey is WTBIBVRUKBXDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10(11-5-7-15-8-6-11)16-13-4-3-12(17(18)19)9-14(13)20-2/h3-10,16H,1-2H3.
What are the key properties of 2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline?
2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline has a molecular weight of 273.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 43720075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).