1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine

C12H19NO — CID 116947379

IUPAC1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
SMILESCOc1c(C)c(C)cc(C)c1C(C)N
InChIInChI=1S/C12H19NO/c1-7-6-8(2)11(10(4)13)12(14-5)9(7)3/h6,10H,13H2,1-5H3
InChIKeyCEEXUFFEXYQARW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.64
Rot. Bonds2

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

1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine (PubChem CID 116947379) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
PubChem CID116947379
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
SMILESCOc1c(C)c(C)cc(C)c1C(C)N
InChIInChI=1S/C12H19NO/c1-7-6-8(2)11(10(4)13)12(14-5)9(7)3/h6,10H,13H2,1-5H3
InChIKeyCEEXUFFEXYQARW-UHFFFAOYSA-N
XLogP2.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
CID 95423636
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116863758
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540
2-amino-1-(2-methoxy-3,4,6-trimethylphenyl)ethanethiol
CID 116868705
3-methoxy-2-(2-methoxy-3,4,6-trimethylphenyl)propan-1-amine
CID 116835676
2,3-diamino-3-(2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116942305
3-amino-3-(2-methoxy-3,4,6-trimethylphenyl)-2,2-dimethylpropanoic acid
CID 116937994
2-(2-methoxy-3,4,6-trimethylphenyl)propanehydrazide
CID 116843951
2-chloro-1-(2-methoxy-3,4,6-trimethylphenyl)ethanol
CID 116863607
(2-methoxy-3,4,6-trimethylphenyl)-piperidin-4-ylmethanamine
CID 116935922
2-amino-3-(dimethylamino)-3-(2-methoxy-3,4,6-trimethylphenyl)propan-1-ol
CID 116911647
1-(2-methoxy-3,4,6-trimethylphenyl)-1-N,1-N,2-trimethylpropane-1,2-diamine
CID 116904584

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine?
The IUPAC name of 1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine (CID 116947379) is 1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for 1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine is COc1c(C)c(C)cc(C)c1C(C)N.
What is the InChIKey of 1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine?
The InChIKey is CEEXUFFEXYQARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7-6-8(2)11(10(4)13)12(14-5)9(7)3/h6,10H,13H2,1-5H3.
What are the key properties of 1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine?
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine has a molecular weight of 193.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 116947379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).