4-(2-aminoethyl)-3-methoxy-5-methylphenol

C10H15NO2 — CID 117278760

IUPAC4-(2-aminoethyl)-3-methoxy-5-methylphenol
SMILESCOc1cc(O)cc(C)c1CCN
InChIInChI=1S/C10H15NO2/c1-7-5-8(12)6-10(13-2)9(7)3-4-11/h5-6,12H,3-4,11H2,1-2H3
InChIKeySBUQRCVECAOEFL-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.21
Rot. Bonds3

About 4-(2-aminoethyl)-3-methoxy-5-methylphenol

4-(2-aminoethyl)-3-methoxy-5-methylphenol (PubChem CID 117278760) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-methoxy-5-methylphenol.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-methoxy-5-methylphenol
PubChem CID117278760
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name4-(2-aminoethyl)-3-methoxy-5-methylphenol
SMILESCOc1cc(O)cc(C)c1CCN
InChIInChI=1S/C10H15NO2/c1-7-5-8(12)6-10(13-2)9(7)3-4-11/h5-6,12H,3-4,11H2,1-2H3
InChIKeySBUQRCVECAOEFL-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

4-[(1-aminocyclopropyl)methyl]-3-methoxy-5-methylphenol
CID 117296210
(4-hydroxy-2-methoxy-6-methylphenyl)methanesulfonyl chloride
CID 117380103
3-(2-aminoethyl)-4,5-dimethoxyphenol
CID 117287027
ethane;4-ethyl-5-methoxybenzene-1,3-diol
CID 153353458
3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
CID 117414325
2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117313606
3-(2-aminoethyl)-2-methoxy-4-methylphenol
CID 117278761
4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxy-5-methylphenol
CID 117300448
3-fluoro-5-methoxy-4-(methylaminomethyl)phenol
CID 84769612
2-(3,5-dimethoxy-4-pyridinyl)ethanamine
CID 82654852
3-fluoro-5-methoxy-4-methylphenol
CID 84650327
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-methoxy-5-methylphenol?
The IUPAC name of 4-(2-aminoethyl)-3-methoxy-5-methylphenol (CID 117278760) is 4-(2-aminoethyl)-3-methoxy-5-methylphenol.
What is the SMILES notation for 4-(2-aminoethyl)-3-methoxy-5-methylphenol?
The canonical SMILES for 4-(2-aminoethyl)-3-methoxy-5-methylphenol is COc1cc(O)cc(C)c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-3-methoxy-5-methylphenol?
The InChIKey is SBUQRCVECAOEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-5-8(12)6-10(13-2)9(7)3-4-11/h5-6,12H,3-4,11H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-3-methoxy-5-methylphenol?
4-(2-aminoethyl)-3-methoxy-5-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 4-(2-aminoethyl)-3-methoxy-5-methylphenol is sourced from PubChem (CID 117278760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).