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

C9H14ClNO2 — CID 77230473

IUPAC3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride
SMILESC[C@H](CO)Nc1cccc(O)c1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-7(6-11)10-8-3-2-4-9(12)5-8;/h2-5,7,10-12H,6H2,1H3;1H/t7-;/m1./s1
InChIKeyCGEBPKUDJJIRLF-OGFXRTJISA-N
MW203.67 g/mol
LogP1.61
Rot. Bonds3

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

3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride (PubChem CID 77230473) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride.

Molecular Properties

Compound Name3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride
PubChem CID77230473
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride
SMILESC[C@H](CO)Nc1cccc(O)c1.Cl
InChIInChI=1S/C9H13NO2.ClH/c1-7(6-11)10-8-3-2-4-9(12)5-8;/h2-5,7,10-12H,6H2,1H3;1H/t7-;/m1./s1
InChIKeyCGEBPKUDJJIRLF-OGFXRTJISA-N
XLogP1.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(heptan-2-ylamino)phenol
CID 43207062
2-[3-(aminomethyl)anilino]propan-1-ol
CID 102813984
3-(octan-2-ylamino)phenol
CID 43130083
(3S)-1-amino-3-(3-hydroxyanilino)butan-2-one
CID 157285684
benzene-1,3-diol;propane-1,2-diol
CID 158855100
2-(pyridin-3-ylamino)propan-1-ol
CID 166774410
2-(3,4-difluoroanilino)propan-1-ol
CID 130502592
3-[1-(4-bromophenyl)ethylamino]phenol
CID 43206955
3-(ethylamino)phenol
CID 578991
3-[1-(2,5-dimethylphenyl)ethylamino]phenol
CID 43207007
3-[1-(4-methylphenyl)propylamino]phenol
CID 43207013
3-[1-(4-methoxyphenyl)ethylamino]phenol
CID 43206982

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride?
The IUPAC name of 3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride (CID 77230473) is 3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride.
What is the SMILES notation for 3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride?
The canonical SMILES for 3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride is C[C@H](CO)Nc1cccc(O)c1.Cl.
What is the InChIKey of 3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride?
The InChIKey is CGEBPKUDJJIRLF-OGFXRTJISA-N. The full InChI is InChI=1S/C9H13NO2.ClH/c1-7(6-11)10-8-3-2-4-9(12)5-8;/h2-5,7,10-12H,6H2,1H3;1H/t7-;/m1./s1.
What are the key properties of 3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride?
3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-hydroxypropan-2-yl]amino]phenol;hydrochloride is sourced from PubChem (CID 77230473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).