2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine

C16H18ClNO2 — CID 63815220

IUPAC2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
SMILESCOc1cc(C)ccc1Oc1cccc(Cl)c1CCN
InChIInChI=1S/C16H18ClNO2/c1-11-6-7-15(16(10-11)19-2)20-14-5-3-4-13(17)12(14)8-9-18/h3-7,10H,8-9,18H2,1-2H3
InChIKeyXUVUKDZMJDEFNF-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.95
Rot. Bonds5

About 2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine

2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine (PubChem CID 63815220) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
PubChem CID63815220
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
SMILESCOc1cc(C)ccc1Oc1cccc(Cl)c1CCN
InChIInChI=1S/C16H18ClNO2/c1-11-6-7-15(16(10-11)19-2)20-14-5-3-4-13(17)12(14)8-9-18/h3-7,10H,8-9,18H2,1-2H3
InChIKeyXUVUKDZMJDEFNF-UHFFFAOYSA-N
XLogP3.95
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 55238568
1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine
CID 63815045
2-[2-chloro-6-(4-methylphenoxy)phenyl]ethanamine
CID 63816618
4-[[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]methyl]-1,2,4-triazole-3,5-diamine
CID 118294544
2-[2-chloro-6-(3,5-dimethylphenoxy)phenyl]ethanamine
CID 63802937
2-[2-chloro-6-(2,3-dichlorophenoxy)phenyl]ethanamine
CID 63815236
[2-chloro-6-(2,5-dimethylphenoxy)phenyl]methanamine
CID 28966143
2-chloro-6-(2-methoxy-4-methylphenoxy)benzonitrile
CID 60701774
1-[2-(bromomethyl)-3-fluorophenoxy]-2-methoxy-4-methylbenzene
CID 114065514
1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene
CID 2284407
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 114846903

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine (CID 63815220) is 2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine is COc1cc(C)ccc1Oc1cccc(Cl)c1CCN.
What is the InChIKey of 2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine?
The InChIKey is XUVUKDZMJDEFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-6-7-15(16(10-11)19-2)20-14-5-3-4-13(17)12(14)8-9-18/h3-7,10H,8-9,18H2,1-2H3.
What are the key properties of 2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine?
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.95, 5 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-methoxy-4-methylphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63815220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).