4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol

C10H15NO2 — CID 117278779

IUPAC4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(C(C)CN)c1O
InChIInChI=1S/C10H15NO2/c1-6(5-11)8-3-4-9(12)7(2)10(8)13/h3-4,6,12-13H,5,11H2,1-2H3
InChIKeyBRLBFYXGAQLIHT-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.47
Rot. Bonds2

About 4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol

4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol (PubChem CID 117278779) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol
PubChem CID117278779
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol
SMILESCc1c(O)ccc(C(C)CN)c1O
InChIInChI=1S/C10H15NO2/c1-6(5-11)8-3-4-9(12)7(2)10(8)13/h3-4,6,12-13H,5,11H2,1-2H3
InChIKeyBRLBFYXGAQLIHT-UHFFFAOYSA-N
XLogP1.47
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802471
6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279608
4-[(1R)-1-aminopropyl]-2-methylbenzene-1,3-diol
CID 131118575
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
2-(1-aminopropan-2-yl)phenol
CID 3028046
6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol
CID 117307369
4-(1-aminoethyl)-2,3-dimethylphenol
CID 82266494
4-(aminomethyl)-2-methylbenzene-1,3-diol
CID 82502588
2-(1-aminopropan-2-yl)-4-(fluoromethyl)phenol
CID 84659168
4-[(2,4-dihydroxy-3-methylphenyl)-(4-ethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 147502266
2-(1-aminopropan-2-yl)-4-(methoxymethyl)phenol
CID 83879401
3-(1-aminopropan-2-yl)-2-fluoro-6-methoxyphenol
CID 117288592

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol?
The IUPAC name of 4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol (CID 117278779) is 4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol is Cc1c(O)ccc(C(C)CN)c1O.
What is the InChIKey of 4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol?
The InChIKey is BRLBFYXGAQLIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6(5-11)8-3-4-9(12)7(2)10(8)13/h3-4,6,12-13H,5,11H2,1-2H3.
What are the key properties of 4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol?
4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol has a molecular weight of 181.24 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminopropan-2-yl)-2-methylbenzene-1,3-diol is sourced from PubChem (CID 117278779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).