1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine

C13H19Cl2NO — CID 103031468

IUPAC1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-13(2,17-3)8-7-11(16)9-5-4-6-10(14)12(9)15/h4-6,11H,7-8,16H2,1-3H3
InChIKeyBRVHZQYUYXYVIX-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.20
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine

1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 103031468) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine
PubChem CID103031468
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CCC(N)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H19Cl2NO/c1-13(2,17-3)8-7-11(16)9-5-4-6-10(14)12(9)15/h4-6,11H,7-8,16H2,1-3H3
InChIKeyBRVHZQYUYXYVIX-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine (CID 103031468) is 1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CCC(N)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is BRVHZQYUYXYVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-13(2,17-3)8-7-11(16)9-5-4-6-10(14)12(9)15/h4-6,11H,7-8,16H2,1-3H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine?
1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 103031468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).