4-(1-aminoethyl)-2,3-dimethylphenol

C10H15NO — CID 82266494

IUPAC4-(1-aminoethyl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(C(C)N)c1C
InChIInChI=1S/C10H15NO/c1-6-7(2)10(12)5-4-9(6)8(3)11/h4-5,8,12H,11H2,1-3H3
InChIKeyOBGIFRRNJHYCQJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.03
Rot. Bonds1

About 4-(1-aminoethyl)-2,3-dimethylphenol

4-(1-aminoethyl)-2,3-dimethylphenol (PubChem CID 82266494) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2,3-dimethylphenol.

Molecular Properties

Compound Name4-(1-aminoethyl)-2,3-dimethylphenol
PubChem CID82266494
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4-(1-aminoethyl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(C(C)N)c1C
InChIInChI=1S/C10H15NO/c1-6-7(2)10(12)5-4-9(6)8(3)11/h4-5,8,12H,11H2,1-3H3
InChIKeyOBGIFRRNJHYCQJ-UHFFFAOYSA-N
XLogP2.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-2,3-dimethylphenol
CID 131214195
2,3-dimethylbenzene-1,4-diol;hydrate
CID 172699169
3-(1-aminoethyl)-6-methylbenzene-1,2-diol
CID 84652680
4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol
CID 84806446
6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol
CID 55274097
4-(1-aminoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117282545
4-[(1R)-1-aminopropyl]-2-methylbenzene-1,3-diol
CID 131118575
4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol
CID 117278779
1-(3-bromo-2,4-dimethylphenyl)ethanamine
CID 84792064
4-(1-aminoethyl)-3-fluoro-2-methylsulfonylphenol
CID 117337810
2-[(1S)-1-aminoethyl]-4-sulfanylphenol
CID 130635425
2-[(1S)-1-aminoethyl]-4-tert-butylphenol
CID 95421722

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2,3-dimethylphenol?
The IUPAC name of 4-(1-aminoethyl)-2,3-dimethylphenol (CID 82266494) is 4-(1-aminoethyl)-2,3-dimethylphenol.
What is the SMILES notation for 4-(1-aminoethyl)-2,3-dimethylphenol?
The canonical SMILES for 4-(1-aminoethyl)-2,3-dimethylphenol is Cc1c(O)ccc(C(C)N)c1C.
What is the InChIKey of 4-(1-aminoethyl)-2,3-dimethylphenol?
The InChIKey is OBGIFRRNJHYCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6-7(2)10(12)5-4-9(6)8(3)11/h4-5,8,12H,11H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-2,3-dimethylphenol?
4-(1-aminoethyl)-2,3-dimethylphenol has a molecular weight of 165.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2,3-dimethylphenol is sourced from PubChem (CID 82266494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).