2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine

C17H20ClNO2 — CID 114321645

IUPAC2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(CCOc2cccc(Cl)c2CCN)cc1
InChIInChI=1S/C17H20ClNO2/c1-20-14-7-5-13(6-8-14)10-12-21-17-4-2-3-16(18)15(17)9-11-19/h2-8H,9-12,19H2,1H3
InChIKeyIAGAJJSNEDJGTO-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.47
Rot. Bonds7

About 2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine

2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine (PubChem CID 114321645) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine
PubChem CID114321645
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine
SMILESCOc1ccc(CCOc2cccc(Cl)c2CCN)cc1
InChIInChI=1S/C17H20ClNO2/c1-20-14-7-5-13(6-8-14)10-12-21-17-4-2-3-16(18)15(17)9-11-19/h2-8H,9-12,19H2,1H3
InChIKeyIAGAJJSNEDJGTO-UHFFFAOYSA-N
XLogP3.47
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-decoxyphenyl)ethanamine
CID 114321578
1,4-dichloro-2-[2-(4-methoxyphenyl)ethoxy]benzene
CID 71628376
2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
2-(bromomethyl)-1-chloro-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 114320878
2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
CID 63816618
2-[2-chloro-6-(2-cyclopropylethoxy)phenyl]ethanamine
CID 114321436
4-chloro-2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethoxy]benzene
CID 65445631
2-[2-chloro-6-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 114321489
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
2-[2-(4-methoxyphenyl)ethoxy]benzaldehyde
CID 60643670
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
1-chloro-2-fluoro-4-[2-(4-methoxyphenyl)ethoxy]benzene
CID 82727338

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine (CID 114321645) is 2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine is COc1ccc(CCOc2cccc(Cl)c2CCN)cc1.
What is the InChIKey of 2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine?
The InChIKey is IAGAJJSNEDJGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-20-14-7-5-13(6-8-14)10-12-21-17-4-2-3-16(18)15(17)9-11-19/h2-8H,9-12,19H2,1H3.
What are the key properties of 2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine?
2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine has a molecular weight of 305.81 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-[2-(4-methoxyphenyl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 114321645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).