2-(3-chlorophenoxy)-N,N-dimethylethanamine

C10H14ClNO — CID 887307

IUPAC2-(3-chlorophenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-12(2)6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,6-7H2,1-2H3
InChIKeySZFPCKKLETZFDQ-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.28
Rot. Bonds4

About 2-(3-chlorophenoxy)-N,N-dimethylethanamine

2-(3-chlorophenoxy)-N,N-dimethylethanamine (PubChem CID 887307) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N,N-dimethylethanamine
PubChem CID887307
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(3-chlorophenoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-12(2)6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,6-7H2,1-2H3
InChIKeySZFPCKKLETZFDQ-UHFFFAOYSA-N
XLogP2.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(3-chlorophenoxy)-N,N-dimethylethanamine (CID 887307) is 2-(3-chlorophenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3-chlorophenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3-chlorophenoxy)-N,N-dimethylethanamine is CN(C)CCOc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N,N-dimethylethanamine?
The InChIKey is SZFPCKKLETZFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-12(2)6-7-13-10-5-3-4-9(11)8-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-(3-chlorophenoxy)-N,N-dimethylethanamine?
2-(3-chlorophenoxy)-N,N-dimethylethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 887307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).