N-(2-chloroethyl)-6-ethoxypyridin-2-amine

C9H13ClN2O — CID 65029665

IUPACN-(2-chloroethyl)-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NCCCl)n1
InChIInChI=1S/C9H13ClN2O/c1-2-13-9-5-3-4-8(12-9)11-7-6-10/h3-5H,2,6-7H2,1H3,(H,11,12)
InChIKeyIFJHCOVHCPQWOK-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.13
Rot. Bonds5

About N-(2-chloroethyl)-6-ethoxypyridin-2-amine

N-(2-chloroethyl)-6-ethoxypyridin-2-amine (PubChem CID 65029665) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-6-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-6-ethoxypyridin-2-amine
PubChem CID65029665
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC NameN-(2-chloroethyl)-6-ethoxypyridin-2-amine
SMILESCCOc1cccc(NCCCl)n1
InChIInChI=1S/C9H13ClN2O/c1-2-13-9-5-3-4-8(12-9)11-7-6-10/h3-5H,2,6-7H2,1H3,(H,11,12)
InChIKeyIFJHCOVHCPQWOK-UHFFFAOYSA-N
XLogP2.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684
N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine
CID 107233084
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
CID 63591109
6-ethoxy-N-hex-5-ynylpyridin-2-amine
CID 106214456
N-(4-chlorobutan-2-yl)-6-ethoxypyridin-2-amine
CID 83187597
tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888
N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63591133
6-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762565
N-(cyclobutylmethyl)-6-ethoxypyridin-2-amine
CID 63590749
6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 114186385

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-6-ethoxypyridin-2-amine?
The IUPAC name of N-(2-chloroethyl)-6-ethoxypyridin-2-amine (CID 65029665) is N-(2-chloroethyl)-6-ethoxypyridin-2-amine.
What is the SMILES notation for N-(2-chloroethyl)-6-ethoxypyridin-2-amine?
The canonical SMILES for N-(2-chloroethyl)-6-ethoxypyridin-2-amine is CCOc1cccc(NCCCl)n1.
What is the InChIKey of N-(2-chloroethyl)-6-ethoxypyridin-2-amine?
The InChIKey is IFJHCOVHCPQWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-2-13-9-5-3-4-8(12-9)11-7-6-10/h3-5H,2,6-7H2,1H3,(H,11,12).
What are the key properties of N-(2-chloroethyl)-6-ethoxypyridin-2-amine?
N-(2-chloroethyl)-6-ethoxypyridin-2-amine has a molecular weight of 200.67 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-6-ethoxypyridin-2-amine is sourced from PubChem (CID 65029665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).