3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride

C9H14ClNO2 — CID 119031520

IUPAC3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride
SMILESCC(N)(CO)c1cccc(O)c1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-9(10,6-11)7-3-2-4-8(12)5-7;/h2-5,11-12H,6,10H2,1H3;1H
InChIKeySNPBQKFBKKVMOB-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.98
Rot. Bonds2

About 3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride

3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride (PubChem CID 119031520) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride
PubChem CID119031520
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride
SMILESCC(N)(CO)c1cccc(O)c1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-9(10,6-11)7-3-2-4-8(12)5-7;/h2-5,11-12H,6,10H2,1H3;1H
InChIKeySNPBQKFBKKVMOB-UHFFFAOYSA-N
XLogP0.98
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride?
The IUPAC name of 3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride (CID 119031520) is 3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride.
What is the SMILES notation for 3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride?
The canonical SMILES for 3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride is CC(N)(CO)c1cccc(O)c1.Cl.
What is the InChIKey of 3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride?
The InChIKey is SNPBQKFBKKVMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-9(10,6-11)7-3-2-4-8(12)5-7;/h2-5,11-12H,6,10H2,1H3;1H.
What are the key properties of 3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride?
3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-hydroxypropan-2-yl)phenol;hydrochloride is sourced from PubChem (CID 119031520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).