3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride

C11H18ClNO2 — CID 171162121

IUPAC3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride
SMILESCCC[C@@H](O)[C@@H](N)c1cccc(O)c1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-2-4-10(14)11(12)8-5-3-6-9(13)7-8;/h3,5-7,10-11,13-14H,2,4,12H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyAOKQWHZBLMLVHE-DHXVBOOMSA-N
MW231.72 g/mol
LogP1.97
Rot. Bonds4

About 3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride

3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride (PubChem CID 171162121) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride
PubChem CID171162121
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride
SMILESCCC[C@@H](O)[C@@H](N)c1cccc(O)c1.Cl
InChIInChI=1S/C11H17NO2.ClH/c1-2-4-10(14)11(12)8-5-3-6-9(13)7-8;/h3,5-7,10-11,13-14H,2,4,12H2,1H3;1H/t10-,11+;/m1./s1
InChIKeyAOKQWHZBLMLVHE-DHXVBOOMSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R,2S)-1-amino-2-hydroxy-5-methylhexyl]phenol
CID 171260899
5-[(1S,2R)-1-amino-2-hydroxypentyl]benzene-1,3-diol;hydrochloride
CID 171266831
6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
CID 171261493
(1S,2R)-1-amino-1-(3-phenylphenyl)pentan-2-ol;hydrochloride
CID 171271118
4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
CID 171162104
(1S,2R)-1-amino-1-(3-iodophenyl)hexan-2-ol;hydrochloride
CID 171269945
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171161781
5-[(1S,2R)-1-amino-2-hydroxyhexyl]benzene-1,3-diol;hydrochloride
CID 171266833
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
4-[(1R,2S)-1-amino-2-hydroxypentyl]-2,6-dimethylphenol;hydrochloride
CID 171262455
3-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130820529
3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride
CID 171238999

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride?
The IUPAC name of 3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride (CID 171162121) is 3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride?
The canonical SMILES for 3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride is CCC[C@@H](O)[C@@H](N)c1cccc(O)c1.Cl.
What is the InChIKey of 3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride?
The InChIKey is AOKQWHZBLMLVHE-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H17NO2.ClH/c1-2-4-10(14)11(12)8-5-3-6-9(13)7-8;/h3,5-7,10-11,13-14H,2,4,12H2,1H3;1H/t10-,11+;/m1./s1.
What are the key properties of 3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride?
3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride has a molecular weight of 231.72 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride is sourced from PubChem (CID 171162121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).