1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine

C14H19Cl2NO2 — CID 79173898

IUPAC1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine
SMILESCCOc1cccc(CC(C)N)c1OCC(Cl)=CCl
InChIInChI=1S/C14H19Cl2NO2/c1-3-18-13-6-4-5-11(7-10(2)17)14(13)19-9-12(16)8-15/h4-6,8,10H,3,7,9,17H2,1-2H3
InChIKeyIUWGFNJYXKVFSA-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.67
Rot. Bonds7

About 1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine

1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine (PubChem CID 79173898) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine
PubChem CID79173898
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine
SMILESCCOc1cccc(CC(C)N)c1OCC(Cl)=CCl
InChIInChI=1S/C14H19Cl2NO2/c1-3-18-13-6-4-5-11(7-10(2)17)14(13)19-9-12(16)8-15/h4-6,8,10H,3,7,9,17H2,1-2H3
InChIKeyIUWGFNJYXKVFSA-UHFFFAOYSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine
CID 79173484
ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512
1-[3-ethoxy-2-(2-methylidenebutoxy)phenyl]propan-2-amine
CID 66040201
1-[2-(2,2-difluoroethoxy)-3-ethoxyphenyl]propan-2-amine
CID 54939238
1-[2-(2,3-dichloroprop-2-enoxy)phenyl]butan-2-amine
CID 79174196
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
CID 54929037
1-(2-cyclopentyloxy-3-ethoxyphenyl)propan-2-amine
CID 54929333
1-[3-ethoxy-2-(oxan-4-ylmethoxy)phenyl]propan-2-amine
CID 62385729
1-[3-ethoxy-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-2-amine
CID 60907055
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597
1-[3-ethoxy-2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-2-amine
CID 103136606
1-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 60906821

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine (CID 79173898) is 1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine is CCOc1cccc(CC(C)N)c1OCC(Cl)=CCl.
What is the InChIKey of 1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine?
The InChIKey is IUWGFNJYXKVFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c1-3-18-13-6-4-5-11(7-10(2)17)14(13)19-9-12(16)8-15/h4-6,8,10H,3,7,9,17H2,1-2H3.
What are the key properties of 1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine?
1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine has a molecular weight of 304.22 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dichloroprop-2-enoxy)-3-ethoxyphenyl]propan-2-amine is sourced from PubChem (CID 79173898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).