2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline

C14H15N3O3 — CID 43717789

IUPAC2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline
SMILESCOc1ccc([N+](=O)[O-])cc1NC(C)c1cccnc1
InChIInChI=1S/C14H15N3O3/c1-10(11-4-3-7-15-9-11)16-13-8-12(17(18)19)5-6-14(13)20-2/h3-10,16H,1-2H3
InChIKeyJDCRJIXMPOSZTN-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.17
Rot. Bonds5

About 2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline

2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline (PubChem CID 43717789) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline
PubChem CID43717789
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline
SMILESCOc1ccc([N+](=O)[O-])cc1NC(C)c1cccnc1
InChIInChI=1S/C14H15N3O3/c1-10(11-4-3-7-15-9-11)16-13-8-12(17(18)19)5-6-14(13)20-2/h3-10,16H,1-2H3
InChIKeyJDCRJIXMPOSZTN-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-(difluoromethyl)-4-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 63748816
N-benzhydryl-2-methoxy-5-nitroaniline
CID 2489016
2-methoxy-4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43720075
2-methoxy-N-[1-(2-methylphenyl)ethyl]-5-nitroaniline
CID 43717785
N-[1-(2-fluorophenyl)ethyl]-2-methoxy-5-nitroaniline
CID 43717791
3-bromo-5-nitro-N-[(1R)-1-pyridin-3-ylethyl]pyridin-2-amine
CID 124508261
1-(3-nitrophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43181736
1-(2-methoxy-5-nitrophenyl)-3-pyridin-3-ylthiourea
CID 23733552
4-nitro-3-(1-pyridin-3-ylethylamino)benzonitrile
CID 104713460
4-fluoro-2-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 43222089
2-methoxy-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-5-nitroaniline
CID 43717813
2-methoxy-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 43717786

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline?
The IUPAC name of 2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline (CID 43717789) is 2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline?
The canonical SMILES for 2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline is COc1ccc([N+](=O)[O-])cc1NC(C)c1cccnc1.
What is the InChIKey of 2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline?
The InChIKey is JDCRJIXMPOSZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10(11-4-3-7-15-9-11)16-13-8-12(17(18)19)5-6-14(13)20-2/h3-10,16H,1-2H3.
What are the key properties of 2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline?
2-methoxy-5-nitro-N-(1-pyridin-3-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-5-nitro-N-(1-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 43717789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).