N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine

C14H14ClN3O3 — CID 26449184

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine
SMILESCN(CCOc1ccccc1Cl)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C14H14ClN3O3/c1-17(14-12(18(19)20)6-4-8-16-14)9-10-21-13-7-3-2-5-11(13)15/h2-8H,9-10H2,1H3
InChIKeyJHTASSYCWBFXCP-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.16
Rot. Bonds6

About N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine

N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine (PubChem CID 26449184) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine
PubChem CID26449184
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine
SMILESCN(CCOc1ccccc1Cl)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C14H14ClN3O3/c1-17(14-12(18(19)20)6-4-8-16-14)9-10-21-13-7-3-2-5-11(13)15/h2-8H,9-10H2,1H3
InChIKeyJHTASSYCWBFXCP-UHFFFAOYSA-N
XLogP3.16
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.16
H-Bond Donors ≤ 50
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,N,N'-trimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 133356104
N-methyl-N-[2-(3-methylphenoxy)ethyl]-3-nitropyridin-2-amine
CID 26448919
1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine
CID 17419305
N-[(4-methoxyphenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 9112758
N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 9113799
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpyridine-2-carboxamide
CID 104741559
2-[2-(2-nitrophenoxy)ethyl]pyridine
CID 68857749
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642416
1-chloro-2-nitrobenzene;methanol
CID 157371441
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-3-nitropyridin-2-amine
CID 56789650
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitropyridin-2-amine
CID 31921413
N-benzyl-3-nitro-N-propylpyridin-2-amine
CID 133383842

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine (CID 26449184) is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine is CN(CCOc1ccccc1Cl)c1ncccc1[N+](=O)[O-].
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine?
The InChIKey is JHTASSYCWBFXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-17(14-12(18(19)20)6-4-8-16-14)9-10-21-13-7-3-2-5-11(13)15/h2-8H,9-10H2,1H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine?
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine has a molecular weight of 307.74 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 26449184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).