2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine

C19H24ClNO — CID 166628168

IUPAC2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine
SMILESCCN(CC)CCc1ccc(Cl)c(-c2ccccc2OC)c1
InChIInChI=1S/C19H24ClNO/c1-4-21(5-2)13-12-15-10-11-18(20)17(14-15)16-8-6-7-9-19(16)22-3/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyRLRMORAXFGAGTG-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.90
Rot. Bonds7

About 2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine

2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine (PubChem CID 166628168) has the molecular formula C19H24ClNO and a molecular weight of 317.86 g/mol. Its IUPAC name is 2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine
PubChem CID166628168
Molecular FormulaC19H24ClNO
Molecular Weight317.86 g/mol
Exact Mass317.15
IUPAC Name2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine
SMILESCCN(CC)CCc1ccc(Cl)c(-c2ccccc2OC)c1
InChIInChI=1S/C19H24ClNO/c1-4-21(5-2)13-12-15-10-11-18(20)17(14-15)16-8-6-7-9-19(16)22-3/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyRLRMORAXFGAGTG-UHFFFAOYSA-N
XLogP4.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine?
The IUPAC name of 2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine (CID 166628168) is 2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine?
The canonical SMILES for 2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine is CCN(CC)CCc1ccc(Cl)c(-c2ccccc2OC)c1.
What is the InChIKey of 2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine?
The InChIKey is RLRMORAXFGAGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO/c1-4-21(5-2)13-12-15-10-11-18(20)17(14-15)16-8-6-7-9-19(16)22-3/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of 2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine?
2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine has a molecular weight of 317.86 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(2-methoxyphenyl)phenyl]-N,N-diethylethanamine is sourced from PubChem (CID 166628168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).