2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol

C10H15NO2 — CID 55293123

IUPAC2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol
SMILESCC(N)(CO)c1ccccc1CO
InChIInChI=1S/C10H15NO2/c1-10(11,7-13)9-5-3-2-4-8(9)6-12/h2-5,12-13H,6-7,11H2,1H3
InChIKeyQAGRNZBVAKHPPL-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.35
Rot. Bonds3

About 2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol

2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol (PubChem CID 55293123) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol
PubChem CID55293123
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol
SMILESCC(N)(CO)c1ccccc1CO
InChIInChI=1S/C10H15NO2/c1-10(11,7-13)9-5-3-2-4-8(9)6-12/h2-5,12-13H,6-7,11H2,1H3
InChIKeyQAGRNZBVAKHPPL-UHFFFAOYSA-N
XLogP0.35
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-[2-(2-aminoethyl)phenyl]propan-1-ol
CID 55295656
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
2-amino-2-(2-chlorophenyl)propan-1-ol
CID 54776181
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
2-amino-2-(2-ethenylphenyl)propan-1-ol
CID 55294949
(2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol
CID 55276084
2-amino-2-[5-fluoro-2-(hydroxymethyl)phenyl]propan-1-ol
CID 130041449
[2-(trichloromethyl)phenyl]methanol
CID 20975681
(2S)-2-amino-2-(2-amino-3-fluorophenyl)propan-1-ol
CID 130702904
3-[(2S)-2-amino-1-hydroxypropan-2-yl]-1H-pyridin-2-one
CID 55275061
(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
CID 131076413
2-amino-2-(2-fluoro-3-pyridinyl)propan-1-ol
CID 55282307

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol (CID 55293123) is 2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol is CC(N)(CO)c1ccccc1CO.
What is the InChIKey of 2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol?
The InChIKey is QAGRNZBVAKHPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-10(11,7-13)9-5-3-2-4-8(9)6-12/h2-5,12-13H,6-7,11H2,1H3.
What are the key properties of 2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol?
2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol is sourced from PubChem (CID 55293123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).