N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine

C18H22ClNO — CID 166630913

IUPACN-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(Cl)c(-c2ccccc2OC)c1
InChIInChI=1S/C18H22ClNO/c1-4-20(5-2)13-14-10-11-17(19)16(12-14)15-8-6-7-9-18(15)21-3/h6-12H,4-5,13H2,1-3H3
InChIKeyQQZUXIPREWBYRJ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.86
Rot. Bonds6

About N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine

N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine (PubChem CID 166630913) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine
PubChem CID166630913
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(Cl)c(-c2ccccc2OC)c1
InChIInChI=1S/C18H22ClNO/c1-4-20(5-2)13-14-10-11-17(19)16(12-14)15-8-6-7-9-18(15)21-3/h6-12H,4-5,13H2,1-3H3
InChIKeyQQZUXIPREWBYRJ-UHFFFAOYSA-N
XLogP4.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine (CID 166630913) is N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine is CCN(CC)Cc1ccc(Cl)c(-c2ccccc2OC)c1.
What is the InChIKey of N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine?
The InChIKey is QQZUXIPREWBYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-20(5-2)13-14-10-11-17(19)16(12-14)15-8-6-7-9-18(15)21-3/h6-12H,4-5,13H2,1-3H3.
What are the key properties of N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine?
N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-chloro-3-(2-methoxyphenyl)phenyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 166630913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).