N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine

C13H17Cl2NO2 — CID 79168380

IUPACN-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)cc1OCC(Cl)=CCl
InChIInChI=1S/C13H17Cl2NO2/c1-3-16-8-10-4-5-12(17-2)6-13(10)18-9-11(15)7-14/h4-7,16H,3,8-9H2,1-2H3
InChIKeyNQOVMVGYCBAIQO-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.50
Rot. Bonds7

About N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine

N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine (PubChem CID 79168380) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
PubChem CID79168380
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC NameN-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
SMILESCCNCc1ccc(OC)cc1OCC(Cl)=CCl
InChIInChI=1S/C13H17Cl2NO2/c1-3-16-8-10-4-5-12(17-2)6-13(10)18-9-11(15)7-14/h4-7,16H,3,8-9H2,1-2H3
InChIKeyNQOVMVGYCBAIQO-UHFFFAOYSA-N
XLogP3.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-chloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine
CID 61269264
1-[2-(ethylaminomethyl)-5-methoxyphenoxy]-2-methylbutan-2-ol
CID 114491840
2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide
CID 61269643
N-[[2-(3-fluoropropoxy)-4-methoxyphenyl]methyl]ethanamine
CID 81107388
N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
CID 61485485
2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid
CID 79167882
N-[[4-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513169
N-[(2,4-diethoxyphenyl)methyl]ethanamine
CID 54804724
N-[[4-methoxy-2-(3-methylbut-2-enoxy)phenyl]methyl]propan-1-amine
CID 61268729
N-[(2-ethoxy-4-methoxyphenyl)methyl]hydroxylamine
CID 117287000
N-[[4-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 61268716
2-[5-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 61268168

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine (CID 79168380) is N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine is CCNCc1ccc(OC)cc1OCC(Cl)=CCl.
What is the InChIKey of N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine?
The InChIKey is NQOVMVGYCBAIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-3-16-8-10-4-5-12(17-2)6-13(10)18-9-11(15)7-14/h4-7,16H,3,8-9H2,1-2H3.
What are the key properties of N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine?
N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine has a molecular weight of 290.19 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dichloroprop-2-enoxy)-4-methoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 79168380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).