4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol

C11H17NO2 — CID 171162104

IUPAC4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
SMILESCCC[C@@H](O)[C@@H](N)c1ccc(O)cc1
InChIInChI=1S/C11H17NO2/c1-2-3-10(14)11(12)8-4-6-9(13)7-5-8/h4-7,10-11,13-14H,2-3,12H2,1H3/t10-,11+/m1/s1
InChIKeyHBPMEOSWQBSNPU-MNOVXSKESA-N
MW195.26 g/mol
LogP1.55
Rot. Bonds4

About 4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol

4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol (PubChem CID 171162104) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol.

Molecular Properties

Compound Name4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
PubChem CID171162104
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
SMILESCCC[C@@H](O)[C@@H](N)c1ccc(O)cc1
InChIInChI=1S/C11H17NO2/c1-2-3-10(14)11(12)8-4-6-9(13)7-5-8/h4-7,10-11,13-14H,2-3,12H2,1H3/t10-,11+/m1/s1
InChIKeyHBPMEOSWQBSNPU-MNOVXSKESA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol
CID 171261947
6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
CID 171261493
5-[(1S,2R)-1-amino-2-hydroxypentyl]benzene-1,3-diol;hydrochloride
CID 171266831
3-[(1S,2R)-1-amino-2-hydroxypentyl]phenol;hydrochloride
CID 171162121
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
CID 171161401
4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol
CID 151615052
(1S,2R)-1-amino-1-(4-iodophenyl)hexan-2-ol;hydrochloride
CID 171267629
(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol
CID 171267227
4-[6-(4-hydroxyphenyl)nonan-4-yl]phenol
CID 163777364
4-[(1R,2S)-1-amino-2-hydroxypentyl]-2,6-dimethylphenol;hydrochloride
CID 171262455
4-[(1R)-1-amino-2-hydroxypropyl]phenol
CID 130840642
5-[(1S,2R)-1-amino-2-hydroxyhexyl]benzene-1,3-diol
CID 171266832

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol?
The IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol (CID 171162104) is 4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol.
What is the SMILES notation for 4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol?
The canonical SMILES for 4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol is CCC[C@@H](O)[C@@H](N)c1ccc(O)cc1.
What is the InChIKey of 4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol?
The InChIKey is HBPMEOSWQBSNPU-MNOVXSKESA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-10(14)11(12)8-4-6-9(13)7-5-8/h4-7,10-11,13-14H,2-3,12H2,1H3/t10-,11+/m1/s1.
What are the key properties of 4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol?
4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol has a molecular weight of 195.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol is sourced from PubChem (CID 171162104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).