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

C12H19NO — CID 95423636

IUPAC(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
SMILESCOc1cc(C)c([C@H](C)N)c(C)c1C
InChIInChI=1S/C12H19NO/c1-7-6-11(14-5)8(2)9(3)12(7)10(4)13/h6,10H,13H2,1-5H3/t10-/m0/s1
InChIKeyAYTNVACMGMFLTL-JTQLQIEISA-N
MW193.29 g/mol
LogP2.64
Rot. Bonds2

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

(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine (PubChem CID 95423636) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
PubChem CID95423636
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine
SMILESCOc1cc(C)c([C@H](C)N)c(C)c1C
InChIInChI=1S/C12H19NO/c1-7-6-11(14-5)8(2)9(3)12(7)10(4)13/h6,10H,13H2,1-5H3/t10-/m0/s1
InChIKeyAYTNVACMGMFLTL-JTQLQIEISA-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

2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetonitrile
CID 116851070
2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetaldehyde
CID 116939106
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970
1-(2-methoxy-3,4,6-trimethylphenyl)ethanamine
CID 116947379
1-(2-bromo-3,6-dimethoxy-4-methylphenyl)ethanamine
CID 117437629
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)heptan-4-ol
CID 83939390
1-(4-methoxy-2,3,6-trimethylphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948793
methyl 3-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanoate
CID 116940176
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)ethanamine
CID 84693142
1-N-(4-methoxy-2,3,6-trimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196463
5-amino-2-(4-methoxy-2,3,6-trimethylphenyl)octan-4-ol
CID 83939393
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine?
The IUPAC name of (1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine (CID 95423636) is (1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine?
The canonical SMILES for (1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine is COc1cc(C)c([C@H](C)N)c(C)c1C.
What is the InChIKey of (1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine?
The InChIKey is AYTNVACMGMFLTL-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19NO/c1-7-6-11(14-5)8(2)9(3)12(7)10(4)13/h6,10H,13H2,1-5H3/t10-/m0/s1.
What are the key properties of (1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine?
(1S)-1-(4-methoxy-2,3,6-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 (1S)-1-(4-methoxy-2,3,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 95423636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).