3-(2-aminoethyl)-2-methoxy-4-methylphenol

C10H15NO2 — CID 117278761

IUPAC3-(2-aminoethyl)-2-methoxy-4-methylphenol
SMILESCOc1c(O)ccc(C)c1CCN
InChIInChI=1S/C10H15NO2/c1-7-3-4-9(12)10(13-2)8(7)5-6-11/h3-4,12H,5-6,11H2,1-2H3
InChIKeyAKKFVUFRGMHQBY-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.21
Rot. Bonds3

About 3-(2-aminoethyl)-2-methoxy-4-methylphenol

3-(2-aminoethyl)-2-methoxy-4-methylphenol (PubChem CID 117278761) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-methoxy-4-methylphenol.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-methoxy-4-methylphenol
PubChem CID117278761
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-(2-aminoethyl)-2-methoxy-4-methylphenol
SMILESCOc1c(O)ccc(C)c1CCN
InChIInChI=1S/C10H15NO2/c1-7-3-4-9(12)10(13-2)8(7)5-6-11/h3-4,12H,5-6,11H2,1-2H3
InChIKeyAKKFVUFRGMHQBY-UHFFFAOYSA-N
XLogP1.21
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-[(methoxyamino)methyl]-4-methylphenol
CID 117287079
2,3-dimethoxy-4-methylphenol;propane
CID 143012581
2-(2-aminoethyl)-3-chloro-4-methylphenol
CID 84769890
3-fluoro-2-methoxy-4-methylphenol
CID 164891079
3-(2-aminooxyethyl)-4-bromo-2-methoxyphenol
CID 117409388
4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117414326
2-(3-chloro-2-methoxy-6-methylphenyl)ethanol
CID 117289652
4-(2-aminoethyl)-3-methoxy-5-methylphenol
CID 117278760
CID 174529092
CID 174529092
3-ethyl-2-methoxy-4-propylphenol
CID 67547848
3-(4-aminobutyl)-2-methoxyphenol
CID 117285526
4-(6-fluoro-2-methoxy-3-methylphenyl)butan-1-amine
CID 117301936

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-methoxy-4-methylphenol?
The IUPAC name of 3-(2-aminoethyl)-2-methoxy-4-methylphenol (CID 117278761) is 3-(2-aminoethyl)-2-methoxy-4-methylphenol.
What is the SMILES notation for 3-(2-aminoethyl)-2-methoxy-4-methylphenol?
The canonical SMILES for 3-(2-aminoethyl)-2-methoxy-4-methylphenol is COc1c(O)ccc(C)c1CCN.
What is the InChIKey of 3-(2-aminoethyl)-2-methoxy-4-methylphenol?
The InChIKey is AKKFVUFRGMHQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-3-4-9(12)10(13-2)8(7)5-6-11/h3-4,12H,5-6,11H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-2-methoxy-4-methylphenol?
3-(2-aminoethyl)-2-methoxy-4-methylphenol has a molecular weight of 181.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-methoxy-4-methylphenol is sourced from PubChem (CID 117278761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).