(1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol

C11H16INO — CID 171261947

IUPAC(1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1ccc(I)cc1
InChIInChI=1S/C11H16INO/c1-2-3-10(14)11(13)8-4-6-9(12)7-5-8/h4-7,10-11,14H,2-3,13H2,1H3/t10-,11+/m0/s1
InChIKeyHDRRKGAWYGGJEE-WDEREUQCSA-N
MW305.16 g/mol
LogP2.45
Rot. Bonds4

About (1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol

(1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol (PubChem CID 171261947) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol
PubChem CID171261947
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name(1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1ccc(I)cc1
InChIInChI=1S/C11H16INO/c1-2-3-10(14)11(13)8-4-6-9(12)7-5-8/h4-7,10-11,14H,2-3,13H2,1H3/t10-,11+/m0/s1
InChIKeyHDRRKGAWYGGJEE-WDEREUQCSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-1-amino-1-(4-iodophenyl)hexan-2-ol;hydrochloride
CID 171267629
(1R,2S)-1-amino-1-(4-iodophenyl)-5-methylhexan-2-ol
CID 171261951
4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
CID 171162104
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)pentan-2-ol;hydrochloride
CID 171262216
2-ethyl-1-(4-iodophenyl)butan-1-amine
CID 105013714
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
CID 171161401
5-[(1S,2R)-1-amino-2-hydroxypentyl]benzene-1,3-diol;hydrochloride
CID 171266831
(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol
CID 171267227
(1R,2S)-1-amino-1-(3-chloro-4-methylphenyl)pentan-2-ol;hydrochloride
CID 171262306
(1S,2R)-1-amino-1-(3,4-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171162200
6-[(1R,2S)-1-amino-2-hydroxypentyl]naphthalen-2-ol;hydrochloride
CID 171261493
(1S,2R)-1-amino-1-(3-iodophenyl)hexan-2-ol;hydrochloride
CID 171269945

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol (CID 171261947) is (1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol is CCC[C@H](O)[C@H](N)c1ccc(I)cc1.
What is the InChIKey of (1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol?
The InChIKey is HDRRKGAWYGGJEE-WDEREUQCSA-N. The full InChI is InChI=1S/C11H16INO/c1-2-3-10(14)11(13)8-4-6-9(12)7-5-8/h4-7,10-11,14H,2-3,13H2,1H3/t10-,11+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol?
(1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol has a molecular weight of 305.16 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol is sourced from PubChem (CID 171261947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).