2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine

C12H18ClNO2 — CID 170888160

IUPAC2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine
SMILESCCOCc1cc(Cl)c(OC)c(CCN)c1
InChIInChI=1S/C12H18ClNO2/c1-3-16-8-9-6-10(4-5-14)12(15-2)11(13)7-9/h6-7H,3-5,8,14H2,1-2H3
InChIKeyJHFDYCWSKGIVLS-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.39
Rot. Bonds6

About 2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine

2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine (PubChem CID 170888160) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine
PubChem CID170888160
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine
SMILESCCOCc1cc(Cl)c(OC)c(CCN)c1
InChIInChI=1S/C12H18ClNO2/c1-3-16-8-9-6-10(4-5-14)12(15-2)11(13)7-9/h6-7H,3-5,8,14H2,1-2H3
InChIKeyJHFDYCWSKGIVLS-UHFFFAOYSA-N
XLogP2.39
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]butan-2-amine;hydrochloride
CID 170890086
2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine
CID 83899229
2-[3-chloro-2-methoxy-5-(2-methylbutan-2-yl)phenyl]ethanamine
CID 170888180
2-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]ethanamine
CID 117310384
1-[3-chloro-2-ethoxy-5-(ethoxymethyl)phenyl]butan-2-amine;hydrochloride
CID 170890050
2-[3-chloro-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]ethanamine
CID 170888183
1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894010
2-[5-chloro-2-(2-ethoxyethoxy)-3-methoxyphenyl]ethanamine
CID 104666878
3-(3-chloro-5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83887887
1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117356702
2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 88540322
3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
CID 117329608

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine?
The IUPAC name of 2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine (CID 170888160) is 2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine is CCOCc1cc(Cl)c(OC)c(CCN)c1.
What is the InChIKey of 2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine?
The InChIKey is JHFDYCWSKGIVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-3-16-8-9-6-10(4-5-14)12(15-2)11(13)7-9/h6-7H,3-5,8,14H2,1-2H3.
What are the key properties of 2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine?
2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine has a molecular weight of 243.73 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(ethoxymethyl)-2-methoxyphenyl]ethanamine is sourced from PubChem (CID 170888160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).