2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine

C17H20ClNO2 — CID 107668910

IUPAC2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
SMILESCCc1ccc(Oc2ccc(Cl)cc2CCN)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-3-12-4-6-16(17(10-12)20-2)21-15-7-5-14(18)11-13(15)8-9-19/h4-7,10-11H,3,8-9,19H2,1-2H3
InChIKeyOTIOQSULEAXCLN-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.20
Rot. Bonds6

About 2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine

2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine (PubChem CID 107668910) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
PubChem CID107668910
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine
SMILESCCc1ccc(Oc2ccc(Cl)cc2CCN)c(OC)c1
InChIInChI=1S/C17H20ClNO2/c1-3-12-4-6-16(17(10-12)20-2)21-15-7-5-14(18)11-13(15)8-9-19/h4-7,10-11H,3,8-9,19H2,1-2H3
InChIKeyOTIOQSULEAXCLN-UHFFFAOYSA-N
XLogP4.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663676
1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 107666852
[3-chloro-4-(4-ethyl-2-methoxyphenoxy)phenyl]methanamine
CID 107663669
2-[5-chloro-2-(4-propylphenoxy)phenyl]ethanamine
CID 114863148
2-[4-(4-chlorophenoxy)-3-methoxyphenyl]ethanamine
CID 118338803
2-[5-chloro-2-(3-methoxyphenoxy)phenyl]ethanamine
CID 114862794
3-(4-ethyl-2-methoxyphenyl)propan-1-amine
CID 83878516
2-[5-chloro-2-(4-chloro-3-ethylphenoxy)phenyl]ethanamine
CID 114863101
1-[2-(bromomethyl)phenoxy]-4-ethyl-2-methoxybenzene
CID 107666254
2-[2-(4-ethylphenoxy)-5-fluorophenyl]ethanamine
CID 63817525
2-[5-chloro-2-(4-ethoxyphenoxy)phenyl]ethanamine
CID 114862746
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine (CID 107668910) is 2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine is CCc1ccc(Oc2ccc(Cl)cc2CCN)c(OC)c1.
What is the InChIKey of 2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine?
The InChIKey is OTIOQSULEAXCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-3-12-4-6-16(17(10-12)20-2)21-15-7-5-14(18)11-13(15)8-9-19/h4-7,10-11H,3,8-9,19H2,1-2H3.
What are the key properties of 2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine?
2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 107668910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).