(3,4,5-trimethoxy-2-methylphenyl)methanamine

C11H17NO3 — CID 174928616

IUPAC(3,4,5-trimethoxy-2-methylphenyl)methanamine
SMILESCOc1cc(CN)c(C)c(OC)c1OC
InChIInChI=1S/C11H17NO3/c1-7-8(6-12)5-9(13-2)11(15-4)10(7)14-3/h5H,6,12H2,1-4H3
InChIKeySSWMWAGLNCBNSO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.48
Rot. Bonds4

About (3,4,5-trimethoxy-2-methylphenyl)methanamine

(3,4,5-trimethoxy-2-methylphenyl)methanamine (PubChem CID 174928616) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (3,4,5-trimethoxy-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(3,4,5-trimethoxy-2-methylphenyl)methanamine
PubChem CID174928616
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(3,4,5-trimethoxy-2-methylphenyl)methanamine
SMILESCOc1cc(CN)c(C)c(OC)c1OC
InChIInChI=1S/C11H17NO3/c1-7-8(6-12)5-9(13-2)11(15-4)10(7)14-3/h5H,6,12H2,1-4H3
InChIKeySSWMWAGLNCBNSO-UHFFFAOYSA-N
XLogP1.48
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-2,5-dimethylphenyl)methanamine
CID 119023643
3-(aminomethyl)-4,5-dimethoxyphenol
CID 117279442
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
[2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]methanamine
CID 45496728
1-(4,5-dimethoxy-2,3-dimethylphenyl)propan-2-amine
CID 117320597
2-(aminomethyl)-4-methoxy-5-methylphenol
CID 67518615
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
1,2-diethyl-3,4,5-trimethoxybenzene
CID 123966014
(2-bromo-5,6-dimethoxy-3-methylphenyl)methanamine
CID 84710081
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
3,5-bis(aminomethyl)-4-methoxyaniline;trihydrochloride
CID 23346960
[2-(2,3-dimethylphenyl)-4,5-dimethoxyphenyl]methanamine
CID 62548525

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethoxy-2-methylphenyl)methanamine?
The IUPAC name of (3,4,5-trimethoxy-2-methylphenyl)methanamine (CID 174928616) is (3,4,5-trimethoxy-2-methylphenyl)methanamine.
What is the SMILES notation for (3,4,5-trimethoxy-2-methylphenyl)methanamine?
The canonical SMILES for (3,4,5-trimethoxy-2-methylphenyl)methanamine is COc1cc(CN)c(C)c(OC)c1OC.
What is the InChIKey of (3,4,5-trimethoxy-2-methylphenyl)methanamine?
The InChIKey is SSWMWAGLNCBNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7-8(6-12)5-9(13-2)11(15-4)10(7)14-3/h5H,6,12H2,1-4H3.
What are the key properties of (3,4,5-trimethoxy-2-methylphenyl)methanamine?
(3,4,5-trimethoxy-2-methylphenyl)methanamine has a molecular weight of 211.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethoxy-2-methylphenyl)methanamine is sourced from PubChem (CID 174928616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).