5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol

C10H15NO2 — CID 117278731

IUPAC5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol
SMILESCC(C)(N)c1ccc(CO)c(O)c1
InChIInChI=1S/C10H15NO2/c1-10(2,11)8-4-3-7(6-12)9(13)5-8/h3-5,12-13H,6,11H2,1-2H3
InChIKeyDPUKJRKUFIWVEX-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.08
Rot. Bonds2

About 5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol

5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol (PubChem CID 117278731) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol
PubChem CID117278731
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol
SMILESCC(C)(N)c1ccc(CO)c(O)c1
InChIInChI=1S/C10H15NO2/c1-10(2,11)8-4-3-7(6-12)9(13)5-8/h3-5,12-13H,6,11H2,1-2H3
InChIKeyDPUKJRKUFIWVEX-UHFFFAOYSA-N
XLogP1.08
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-aminopropan-2-yl)naphthalen-1-ol
CID 105453666
(2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55271791
2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117111875
2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol
CID 130041449
3-[3-hydroxy-4-(hydroxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117321762
5-(1-aminopropan-2-yl)-2-(hydroxymethyl)phenol
CID 117278773
2-[2-[4-[2-[2-hydroxy-4,6-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-3,5-bis(hydroxymethyl)phenol
CID 91309963
1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone
CID 90368486
2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
CID 82549994
5-tert-butyl-2-[(propan-2-ylamino)methyl]phenol
CID 10331105
4-[2-[4-hydroxy-3-(hydroxymethyl)phenyl]pentan-2-yl]-2-(hydroxymethyl)phenol
CID 163710554
2-(2-amino-2-methylpropyl)-4-tert-butylphenol
CID 117317076

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol?
The IUPAC name of 5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol (CID 117278731) is 5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol?
The canonical SMILES for 5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol is CC(C)(N)c1ccc(CO)c(O)c1.
What is the InChIKey of 5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol?
The InChIKey is DPUKJRKUFIWVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(2,11)8-4-3-7(6-12)9(13)5-8/h3-5,12-13H,6,11H2,1-2H3.
What are the key properties of 5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol?
5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol has a molecular weight of 181.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-2-(hydroxymethyl)phenol is sourced from PubChem (CID 117278731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).