N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine

C14H15N3O3 — CID 2849092

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
SMILESCOc1ccc(CCNc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C14H15N3O3/c1-20-13-5-2-11(3-6-13)8-9-15-14-7-4-12(10-16-14)17(18)19/h2-7,10H,8-9H2,1H3,(H,15,16)
InChIKeySDWRIGXVPZQCQN-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.65
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine

N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine (PubChem CID 2849092) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
PubChem CID2849092
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
SMILESCOc1ccc(CCNc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C14H15N3O3/c1-20-13-5-2-11(3-6-13)8-9-15-14-7-4-12(10-16-14)17(18)19/h2-7,10H,8-9H2,1H3,(H,15,16)
InChIKeySDWRIGXVPZQCQN-UHFFFAOYSA-N
XLogP2.65
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.65
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

N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 133287452
N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
CID 17416767
5-fluoro-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 61311581
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 27818248
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-1-ium-2-amine
CID 7448389
N-[2-(4-methoxyphenyl)ethyl]-2,4-dinitroaniline
CID 9281277
N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 51194316
N-[2-(3-chlorophenyl)ethyl]-5-nitropyridin-2-amine
CID 18194894
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-nitropyridin-2-amine
CID 16564066
N-(2-naphthalen-2-yloxyethyl)-5-nitropyridin-2-amine
CID 26448348
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;trihydrochloride
CID 141018206
N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine;hydrochloride
CID 141044426

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine (CID 2849092) is N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine is COc1ccc(CCNc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine?
The InChIKey is SDWRIGXVPZQCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-13-5-2-11(3-6-13)8-9-15-14-7-4-12(10-16-14)17(18)19/h2-7,10H,8-9H2,1H3,(H,15,16).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine?
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 2849092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).