2-(2-methoxy-4,5-dimethylphenoxy)ethanamine

C11H17NO2 — CID 82491313

IUPAC2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
SMILESCOc1cc(C)c(C)cc1OCCN
InChIInChI=1S/C11H17NO2/c1-8-6-10(13-3)11(7-9(8)2)14-5-4-12/h6-7H,4-5,12H2,1-3H3
InChIKeyMQFBKCXZTUSRPW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.65
Rot. Bonds4

About 2-(2-methoxy-4,5-dimethylphenoxy)ethanamine

2-(2-methoxy-4,5-dimethylphenoxy)ethanamine (PubChem CID 82491313) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenoxy)ethanamine.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
PubChem CID82491313
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
SMILESCOc1cc(C)c(C)cc1OCCN
InChIInChI=1S/C11H17NO2/c1-8-6-10(13-3)11(7-9(8)2)14-5-4-12/h6-7H,4-5,12H2,1-3H3
InChIKeyMQFBKCXZTUSRPW-UHFFFAOYSA-N
XLogP1.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-5-methoxy-4-(2-methoxyethoxy)-2-methylbenzene
CID 20785388
2-(4-chloro-2,5-dimethylphenoxy)ethanamine
CID 84669181
2-(5-tert-butyl-2-methoxyphenoxy)ethanamine
CID 96672636
2-(5-fluoro-2-methoxy-4-methylphenoxy)ethanol
CID 70838034
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline
CID 171649993
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
2-[4-(2-aminoethoxy)-2-methyl-5-(4-methylphenyl)phenoxy]ethanamine
CID 59894063
2-(3-chloro-2-methoxy-5-methylphenoxy)ethanamine
CID 84681449
2-methoxy-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 82287187
1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
2-(5-hydroxy-2-methoxy-4-methylphenoxy)ethanesulfinic acid
CID 70888048

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenoxy)ethanamine?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenoxy)ethanamine (CID 82491313) is 2-(2-methoxy-4,5-dimethylphenoxy)ethanamine.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenoxy)ethanamine?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenoxy)ethanamine is COc1cc(C)c(C)cc1OCCN.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenoxy)ethanamine?
The InChIKey is MQFBKCXZTUSRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-6-10(13-3)11(7-9(8)2)14-5-4-12/h6-7H,4-5,12H2,1-3H3.
What are the key properties of 2-(2-methoxy-4,5-dimethylphenoxy)ethanamine?
2-(2-methoxy-4,5-dimethylphenoxy)ethanamine has a molecular weight of 195.26 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenoxy)ethanamine is sourced from PubChem (CID 82491313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).