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

C14H14ClN3O2 — CID 83268375

IUPACN-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine
SMILESCc1cnc(NC(C)c2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14ClN3O2/c1-9-8-16-14(7-13(9)18(19)20)17-10(2)11-5-3-4-6-12(11)15/h3-8,10H,1-2H3,(H,16,17)
InChIKeyTZCAZZOAKDLLOP-UHFFFAOYSA-N
MW291.74 g/mol
LogP4.12
Rot. Bonds4

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

N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine (PubChem CID 83268375) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine
PubChem CID83268375
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine
SMILESCc1cnc(NC(C)c2ccccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14ClN3O2/c1-9-8-16-14(7-13(9)18(19)20)17-10(2)11-5-3-4-6-12(11)15/h3-8,10H,1-2H3,(H,16,17)
InChIKeyTZCAZZOAKDLLOP-UHFFFAOYSA-N
XLogP4.12
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 54.12
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

N-[1-(2-chlorophenyl)ethyl]-5-methyl-3-nitropyridin-2-amine
CID 66279384
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-methyl-4-nitropyridin-2-amine
CID 83267989
5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]-4-nitropyridin-2-amine
CID 83268567
6-[1-(2-chlorophenyl)ethylamino]-3-nitropyridine-2-carbonitrile
CID 103471461
5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-nitropyridin-2-amine
CID 106388838
2-N-[1-(2-chlorophenyl)ethyl]-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80783338
4-N-[1-(2-chlorophenyl)ethyl]-5-nitropyrimidine-4,6-diamine
CID 80801401
5-methyl-4-nitro-N-pent-1-yn-3-ylpyridin-2-amine
CID 106231283
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(4,5-dimethyl-2-nitrophenyl)acetamide
CID 9307130
4-bromo-N-[1-(2-chlorophenyl)ethyl]-5-fluoro-2-nitroaniline
CID 66110274
6-chloro-N-[1-(2-chlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 55080193
N-(1-cyclopentylethyl)-5-methyl-4-nitropyridin-2-amine
CID 83267136

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine (CID 83268375) is N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine is Cc1cnc(NC(C)c2ccccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine?
The InChIKey is TZCAZZOAKDLLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-9-8-16-14(7-13(9)18(19)20)17-10(2)11-5-3-4-6-12(11)15/h3-8,10H,1-2H3,(H,16,17).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine?
N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine has a molecular weight of 291.74 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-5-methyl-4-nitropyridin-2-amine is sourced from PubChem (CID 83268375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).