2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine

C16H17Cl2NO — CID 115830327

IUPAC2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2c(Cl)cccc2Cl)ccc1C
InChIInChI=1S/C16H17Cl2NO/c1-10-6-7-11(8-16(10)20-2)15(19)9-12-13(17)4-3-5-14(12)18/h3-8,15H,9,19H2,1-2H3
InChIKeyXEEKQKGQAVVPAN-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.55
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine

2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine (PubChem CID 115830327) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
PubChem CID115830327
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2c(Cl)cccc2Cl)ccc1C
InChIInChI=1S/C16H17Cl2NO/c1-10-6-7-11(8-16(10)20-2)15(19)9-12-13(17)4-3-5-14(12)18/h3-8,15H,9,19H2,1-2H3
InChIKeyXEEKQKGQAVVPAN-UHFFFAOYSA-N
XLogP4.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 62606810
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105035532
2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 112655524
1-(3-methoxy-4-methylphenyl)-2-thiophen-2-ylethanamine
CID 61080147
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 79698284
2-(2-chloro-6-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 55138858
2-(2-bromo-3-fluorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105020500
2-(2,6-dichlorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 63414806
1-(4-bromo-3,5-dimethylphenyl)-2-(2,6-dichlorophenyl)ethanamine
CID 114330130
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
[1-(4-chloro-3-methoxyphenyl)-2-(2,6-dichlorophenyl)ethyl]hydrazine
CID 105209707

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine (CID 115830327) is 2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine is COc1cc(C(N)Cc2c(Cl)cccc2Cl)ccc1C.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The InChIKey is XEEKQKGQAVVPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-10-6-7-11(8-16(10)20-2)15(19)9-12-13(17)4-3-5-14(12)18/h3-8,15H,9,19H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine has a molecular weight of 310.22 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 115830327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).