3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine

C15H17N3O2 — CID 62477233

IUPAC3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine
SMILESCc1ccc(C(C)Nc2ncc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C15H17N3O2/c1-10-4-6-13(7-5-10)12(3)17-15-11(2)8-14(9-16-15)18(19)20/h4-9,12H,1-3H3,(H,16,17)
InChIKeyCXQAOUXTGFBLSF-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.78
Rot. Bonds4

About 3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine

3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine (PubChem CID 62477233) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine
PubChem CID62477233
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine
SMILESCc1ccc(C(C)Nc2ncc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C15H17N3O2/c1-10-4-6-13(7-5-10)12(3)17-15-11(2)8-14(9-16-15)18(19)20/h4-9,12H,1-3H3,(H,16,17)
InChIKeyCXQAOUXTGFBLSF-UHFFFAOYSA-N
XLogP3.78
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.78
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

3-methyl-5-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 62477893
3-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-5-nitropyridin-2-amine
CID 62477045
N-(3,3-dimethylbutan-2-yl)-3-methyl-5-nitropyridin-2-amine
CID 113457884
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methyl-5-nitropyridin-2-amine
CID 62475344
3,5-dinitro-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 91983831
N-[1-(4-aminophenyl)ethyl]-3-bromo-5-nitropyridin-2-amine
CID 116650576
5-nitro-2-N-(1-phenylethyl)pyridine-2,3-diamine
CID 21157439
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
1-N,1-N,3-trimethyl-2-N-(3-methyl-5-nitro-2-pyridinyl)butane-1,2-diamine
CID 55080504
N-[1-(4-methylphenyl)ethyl]-3-nitroaniline
CID 43718027
N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine
CID 62476877
3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 113338970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of 3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine (CID 62477233) is 3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine is Cc1ccc(C(C)Nc2ncc([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of 3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine?
The InChIKey is CXQAOUXTGFBLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-4-6-13(7-5-10)12(3)17-15-11(2)8-14(9-16-15)18(19)20/h4-9,12H,1-3H3,(H,16,17).
What are the key properties of 3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine?
3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine has a molecular weight of 271.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 62477233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).