2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine

C12H16ClNO2 — CID 61268017

IUPAC2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine
SMILESC=C(Cl)COc1cc(OC)ccc1CCN
InChIInChI=1S/C12H16ClNO2/c1-9(13)8-16-12-7-11(15-2)4-3-10(12)5-6-14/h3-4,7H,1,5-6,8,14H2,2H3
InChIKeyKKNSEZOLCAKKPI-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.33
Rot. Bonds6

About 2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine

2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine (PubChem CID 61268017) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine
PubChem CID61268017
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine
SMILESC=C(Cl)COc1cc(OC)ccc1CCN
InChIInChI=1S/C12H16ClNO2/c1-9(13)8-16-12-7-11(15-2)4-3-10(12)5-6-14/h3-4,7H,1,5-6,8,14H2,2H3
InChIKeyKKNSEZOLCAKKPI-UHFFFAOYSA-N
XLogP2.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 61268758
3-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79621891
methyl 3-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylpropanoate
CID 79621787
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 61268381
2-(2-chloroprop-2-enoxy)-4-methoxybenzaldehyde
CID 60746518
1-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanol
CID 82002087
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488645
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid
CID 55134399
2-[2-(2-butoxyethoxy)-4-methoxyphenyl]ethanamine
CID 61483570
4-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylbutanenitrile
CID 65252238
2-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methoxyphenyl]ethanamine
CID 61267654

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine?
The IUPAC name of 2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine (CID 61268017) is 2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine is C=C(Cl)COc1cc(OC)ccc1CCN.
What is the InChIKey of 2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine?
The InChIKey is KKNSEZOLCAKKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-9(13)8-16-12-7-11(15-2)4-3-10(12)5-6-14/h3-4,7H,1,5-6,8,14H2,2H3.
What are the key properties of 2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine?
2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine has a molecular weight of 241.72 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroprop-2-enoxy)-4-methoxyphenyl]ethanamine is sourced from PubChem (CID 61268017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).