(2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine

C12H19NO2 — CID 139777100

IUPAC(2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine
SMILESCOc1c(C)c(C)c(OC)c(CN)c1C
InChIInChI=1S/C12H19NO2/c1-7-8(2)12(15-5)10(6-13)9(3)11(7)14-4/h6,13H2,1-5H3
InChIKeyFNYCGHPWRAPTBH-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.09
Rot. Bonds3

About (2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine

(2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine (PubChem CID 139777100) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine
PubChem CID139777100
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine
SMILESCOc1c(C)c(C)c(OC)c(CN)c1C
InChIInChI=1S/C12H19NO2/c1-7-8(2)12(15-5)10(6-13)9(3)11(7)14-4/h6,13H2,1-5H3
InChIKeyFNYCGHPWRAPTBH-UHFFFAOYSA-N
XLogP2.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(chloromethyl)-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 10878929
3-(2,5-dimethoxy-3,4,6-trimethylphenyl)propanoic acid
CID 22943714
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
methane;1-methoxy-2,3,4,5,6-pentamethylbenzene
CID 157181904
dimethyl 2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]propanedioate
CID 15673909
1,4-dimethoxy-2,3,5-trimethyl-6-(3-methylbut-3-enyl)benzene
CID 15837165
1-iodo-2,5-dimethoxy-3,4,6-trimethylbenzene
CID 11822906
2-[(2,5-dimethoxy-3,4,6-trimethylphenyl)methyl]-3H-pyrrole
CID 161242474
4-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)butan-1-amine
CID 116924825
4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2,2-dimethylbutanal
CID 134990490
4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbutane-1,2-diol
CID 13100532
1-butyl-3,4-dimethoxy-2,5,6-trimethylbenzene
CID 118455439

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine?
The IUPAC name of (2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine (CID 139777100) is (2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for (2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine?
The canonical SMILES for (2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine is COc1c(C)c(C)c(OC)c(CN)c1C.
What is the InChIKey of (2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine?
The InChIKey is FNYCGHPWRAPTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7-8(2)12(15-5)10(6-13)9(3)11(7)14-4/h6,13H2,1-5H3.
What are the key properties of (2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine?
(2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxy-3,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 139777100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).