2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine

C11H16ClNO — CID 3051355

IUPAC2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine
SMILESCOC(CN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-13(2)8-11(14-3)9-4-6-10(12)7-5-9/h4-7,11H,8H2,1-3H3
InChIKeyHDBRPRPMZUYLLR-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine

2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine (PubChem CID 3051355) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine
PubChem CID3051355
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine
SMILESCOC(CN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-13(2)8-11(14-3)9-4-6-10(12)7-5-9/h4-7,11H,8H2,1-3H3
InChIKeyHDBRPRPMZUYLLR-UHFFFAOYSA-N
XLogP2.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine (CID 3051355) is 2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine is COC(CN(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine?
The InChIKey is HDBRPRPMZUYLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-13(2)8-11(14-3)9-4-6-10(12)7-5-9/h4-7,11H,8H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine?
2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine has a molecular weight of 213.71 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-methoxy-N,N-dimethylethanamine is sourced from PubChem (CID 3051355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).