3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine

C14H19Cl2NO — CID 11652185

IUPAC3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine
SMILESCNCCC(C=C(C)C)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO/c1-10(2)9-11(7-8-17-3)18-13-6-4-5-12(15)14(13)16/h4-6,9,11,17H,7-8H2,1-3H3
InChIKeyLRICJXFIUBRUPW-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.32
Rot. Bonds6

About 3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine

3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine (PubChem CID 11652185) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine.

Molecular Properties

Compound Name3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine
PubChem CID11652185
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine
SMILESCNCCC(C=C(C)C)Oc1cccc(Cl)c1Cl
InChIInChI=1S/C14H19Cl2NO/c1-10(2)9-11(7-8-17-3)18-13-6-4-5-12(15)14(13)16/h4-6,9,11,17H,7-8H2,1-3H3
InChIKeyLRICJXFIUBRUPW-UHFFFAOYSA-N
XLogP4.32
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 ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine?
The IUPAC name of 3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine (CID 11652185) is 3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine.
What is the SMILES notation for 3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine?
The canonical SMILES for 3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine is CNCCC(C=C(C)C)Oc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine?
The InChIKey is LRICJXFIUBRUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-10(2)9-11(7-8-17-3)18-13-6-4-5-12(15)14(13)16/h4-6,9,11,17H,7-8H2,1-3H3.
What are the key properties of 3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine?
3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine has a molecular weight of 288.22 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenoxy)-N,5-dimethylhex-4-en-1-amine is sourced from PubChem (CID 11652185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).