(2-ethyl-3,6-dimethoxyphenyl)methanamine

C11H17NO2 — CID 84666315

IUPAC(2-ethyl-3,6-dimethoxyphenyl)methanamine
SMILESCCc1c(OC)ccc(OC)c1CN
InChIInChI=1S/C11H17NO2/c1-4-8-9(7-12)11(14-3)6-5-10(8)13-2/h5-6H,4,7,12H2,1-3H3
InChIKeyZBYUBUVVMVWXAE-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.72
Rot. Bonds4

About (2-ethyl-3,6-dimethoxyphenyl)methanamine

(2-ethyl-3,6-dimethoxyphenyl)methanamine (PubChem CID 84666315) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (2-ethyl-3,6-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-ethyl-3,6-dimethoxyphenyl)methanamine
PubChem CID84666315
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(2-ethyl-3,6-dimethoxyphenyl)methanamine
SMILESCCc1c(OC)ccc(OC)c1CN
InChIInChI=1S/C11H17NO2/c1-4-8-9(7-12)11(14-3)6-5-10(8)13-2/h5-6H,4,7,12H2,1-3H3
InChIKeyZBYUBUVVMVWXAE-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-3-ethyl-1,4-dimethoxybenzene
CID 84704847
tris(2,3-diethyl-4-methoxyphenyl) phosphate
CID 177312827
(2,3-diethyl-4-methoxyphenoxy)boronic acid
CID 54089245
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230
(2-chloro-6-methoxy-3-methylphenyl)methanamine
CID 84769899
(3,6-dimethoxy-2-methylsulfonylphenyl)methanamine
CID 117365219
(2-methoxy-6-propoxyphenyl)methanamine
CID 118156685
1-chloro-2-ethyl-4-methoxy-3-methylbenzene
CID 118491478
(2-fluoro-6-methoxyphenyl)methanamine
CID 40786958
(5-methoxy-3-methyl-2H-indazol-4-yl)methanamine
CID 117109608
3-amino-2-(3-ethyl-2,4-dimethoxyphenyl)propanoic acid
CID 117385837

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3,6-dimethoxyphenyl)methanamine?
The IUPAC name of (2-ethyl-3,6-dimethoxyphenyl)methanamine (CID 84666315) is (2-ethyl-3,6-dimethoxyphenyl)methanamine.
What is the SMILES notation for (2-ethyl-3,6-dimethoxyphenyl)methanamine?
The canonical SMILES for (2-ethyl-3,6-dimethoxyphenyl)methanamine is CCc1c(OC)ccc(OC)c1CN.
What is the InChIKey of (2-ethyl-3,6-dimethoxyphenyl)methanamine?
The InChIKey is ZBYUBUVVMVWXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-8-9(7-12)11(14-3)6-5-10(8)13-2/h5-6H,4,7,12H2,1-3H3.
What are the key properties of (2-ethyl-3,6-dimethoxyphenyl)methanamine?
(2-ethyl-3,6-dimethoxyphenyl)methanamine has a molecular weight of 195.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3,6-dimethoxyphenyl)methanamine is sourced from PubChem (CID 84666315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).