2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline

C14H15N3O2 — CID 23104828

IUPAC2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline
SMILESCc1cc([N+](=O)[O-])ccc1NCCc1ccccn1
InChIInChI=1S/C14H15N3O2/c1-11-10-13(17(18)19)5-6-14(11)16-9-7-12-4-2-3-8-15-12/h2-6,8,10,16H,7,9H2,1H3
InChIKeyKTWCSAXJYFYRQW-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.95
Rot. Bonds5

About 2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline

2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 23104828) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline
PubChem CID23104828
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline
SMILESCc1cc([N+](=O)[O-])ccc1NCCc1ccccn1
InChIInChI=1S/C14H15N3O2/c1-11-10-13(17(18)19)5-6-14(11)16-9-7-12-4-2-3-8-15-12/h2-6,8,10,16H,7,9H2,1H3
InChIKeyKTWCSAXJYFYRQW-UHFFFAOYSA-N
XLogP2.95
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
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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Related Compounds

2-chloro-4-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 9282895
2-methyl-4-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]aniline
CID 55260079
2-[3-(2-methyl-5-nitrophenyl)sulfonylpropyl]pyridine
CID 162727354
2-methyl-4-nitro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 106404427
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468231
2,4-dinitro-N-(pyridin-2-ylmethyl)aniline
CID 3442927
2,5-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 60720537
3-methyl-4-(2-pyridin-2-ylethylamino)benzenecarbothioamide
CID 54934528
2-nitro-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 3783366
4-nitro-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 62506127
1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43297299
N-benzyl-2-methyl-4-nitroaniline
CID 2851650

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline (CID 23104828) is 2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline is Cc1cc([N+](=O)[O-])ccc1NCCc1ccccn1.
What is the InChIKey of 2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is KTWCSAXJYFYRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-11-10-13(17(18)19)5-6-14(11)16-9-7-12-4-2-3-8-15-12/h2-6,8,10,16H,7,9H2,1H3.
What are the key properties of 2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline?
2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline has a molecular weight of 257.29 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitro-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 23104828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).