N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine

C14H23ClN2O — CID 106252954

IUPACN-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine
SMILESCCOc1cccnc1NCC(CC)(CC)CCl
InChIInChI=1S/C14H23ClN2O/c1-4-14(5-2,10-15)11-17-13-12(18-6-3)8-7-9-16-13/h7-9H,4-6,10-11H2,1-3H3,(H,16,17)
InChIKeyAFJXPZHVVAJORV-UHFFFAOYSA-N
MW270.80 g/mol
LogP3.94
Rot. Bonds8

About N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine

N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine (PubChem CID 106252954) has the molecular formula C14H23ClN2O and a molecular weight of 270.80 g/mol. Its IUPAC name is N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine
PubChem CID106252954
Molecular FormulaC14H23ClN2O
Molecular Weight270.80 g/mol
Exact Mass270.15
IUPAC NameN-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine
SMILESCCOc1cccnc1NCC(CC)(CC)CCl
InChIInChI=1S/C14H23ClN2O/c1-4-14(5-2,10-15)11-17-13-12(18-6-3)8-7-9-16-13/h7-9H,4-6,10-11H2,1-3H3,(H,16,17)
InChIKeyAFJXPZHVVAJORV-UHFFFAOYSA-N
XLogP3.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 53.94
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

N-(4-chloro-2,2-dimethylbutyl)-3-ethoxypyridin-2-amine
CID 106141771
3-ethoxy-N-(2,2,3-trimethylbutyl)pyridin-2-amine
CID 114100789
3-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762551
N-(6-chlorohexyl)-3-ethoxypyridin-2-amine
CID 107846423
3-ethoxy-N-(3-methylbut-2-enyl)pyridin-2-amine
CID 106191598
2-[(3-ethoxy-2-pyridinyl)amino]-2-ethylpropane-1,3-diol
CID 114010653
2,2-dimethyl-N-(3-propoxy-2-pyridinyl)pentane-1,5-diamine
CID 106142911
N-(2-methyl-2-methylsulfanylpropyl)-3-propoxypyridin-2-amine
CID 113479021
N-[(2-chlorocyclohexyl)methyl]-3-ethoxypyridin-2-amine
CID 113371327
N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine
CID 106252961
2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]pyridine-3-carboxamide
CID 113334693
2-[3-[(3-ethoxy-2-pyridinyl)amino]propoxy]ethanol
CID 106307052

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine?
The IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine (CID 106252954) is N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine.
What is the SMILES notation for N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine?
The canonical SMILES for N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine is CCOc1cccnc1NCC(CC)(CC)CCl.
What is the InChIKey of N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine?
The InChIKey is AFJXPZHVVAJORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O/c1-4-14(5-2,10-15)11-17-13-12(18-6-3)8-7-9-16-13/h7-9H,4-6,10-11H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine?
N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine has a molecular weight of 270.80 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)-2-ethylbutyl]-3-ethoxypyridin-2-amine is sourced from PubChem (CID 106252954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).