1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine

C14H19Cl2NO — CID 79167893

IUPAC1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(C)ccc1OCC(Cl)=CCl
InChIInChI=1S/C14H19Cl2NO/c1-4-17-11(3)13-7-10(2)5-6-14(13)18-9-12(16)8-15/h5-8,11,17H,4,9H2,1-3H3
InChIKeyXBFMTOIRQUNJEV-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.36
Rot. Bonds6

About 1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine

1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine (PubChem CID 79167893) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine
PubChem CID79167893
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(C)ccc1OCC(Cl)=CCl
InChIInChI=1S/C14H19Cl2NO/c1-4-17-11(3)13-7-10(2)5-6-14(13)18-9-12(16)8-15/h5-8,11,17H,4,9H2,1-3H3
InChIKeyXBFMTOIRQUNJEV-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
1-(2,3-dichloroprop-2-enoxy)-2,4-dimethylbenzene
CID 79173704
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
1-[4-[(Z)-2,3-dichloroprop-2-enoxy]-2-fluorophenyl]-N-ethylethanamine
CID 107717512
N-ethyl-1-(2-hexoxy-5-methylphenyl)ethanamine
CID 43505152
2-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]acetonitrile
CID 60887297
1-[2-(difluoromethoxy)-5-methylphenyl]-N-ethylethanamine
CID 43505197
[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]methanol
CID 79173873
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine
CID 63500464
N-cyclopropyl-3-[2-[1-(ethylamino)ethyl]-4-methylphenoxy]propanamide
CID 62628087
N-ethyl-1-[5-methyl-2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanamine
CID 112640352

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine (CID 79167893) is 1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine is CCNC(C)c1cc(C)ccc1OCC(Cl)=CCl.
What is the InChIKey of 1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine?
The InChIKey is XBFMTOIRQUNJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-4-17-11(3)13-7-10(2)5-6-14(13)18-9-12(16)8-15/h5-8,11,17H,4,9H2,1-3H3.
What are the key properties of 1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine?
1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine has a molecular weight of 288.22 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichloroprop-2-enoxy)-5-methylphenyl]-N-ethylethanamine is sourced from PubChem (CID 79167893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).