1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine

C13H18ClNO2 — CID 60881702

IUPAC1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
SMILESC=C(Cl)COc1c(CNC)cccc1OCC
InChIInChI=1S/C13H18ClNO2/c1-4-16-12-7-5-6-11(8-15-3)13(12)17-9-10(2)14/h5-7,15H,2,4,8-9H2,1,3H3
InChIKeyJMUAZBOCBUOOLO-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.94
Rot. Bonds7

About 1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine

1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine (PubChem CID 60881702) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
PubChem CID60881702
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine
SMILESC=C(Cl)COc1c(CNC)cccc1OCC
InChIInChI=1S/C13H18ClNO2/c1-4-16-12-7-5-6-11(8-15-3)13(12)17-9-10(2)14/h5-7,15H,2,4,8-9H2,1,3H3
InChIKeyJMUAZBOCBUOOLO-UHFFFAOYSA-N
XLogP2.94
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxy-2-propoxyphenyl)-N-methylmethanamine
CID 43213948
1-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 60881141
3-[[2-ethoxy-6-(methylaminomethyl)phenoxy]methyl]pentan-3-ol
CID 114491680
2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
CID 43366496
3-[2-ethoxy-6-(methylaminomethyl)phenoxy]-2,2-dimethylpropanoic acid
CID 79629790
1-ethoxy-3-[2-ethoxy-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 63934160
N-[(2,3-diethoxyphenyl)methyl]ethanamine
CID 43278924
N-methyl-1-[3-methyl-2-(2-methylprop-2-enoxy)phenyl]methanamine
CID 112608358
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
N-[[3-ethoxy-2-(2-methylidenebutoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 66046626
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetamide
CID 43278938
1-(3-chloro-2-ethoxyphenyl)-N-methylmethanamine
CID 58664109

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine (CID 60881702) is 1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine is C=C(Cl)COc1c(CNC)cccc1OCC.
What is the InChIKey of 1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine?
The InChIKey is JMUAZBOCBUOOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-16-12-7-5-6-11(8-15-3)13(12)17-9-10(2)14/h5-7,15H,2,4,8-9H2,1,3H3.
What are the key properties of 1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine?
1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine has a molecular weight of 255.74 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloroprop-2-enoxy)-3-ethoxyphenyl]-N-methylmethanamine is sourced from PubChem (CID 60881702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).