(3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol

C10H13ClINO — CID 130625511

IUPAC(3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol
SMILESC[C@](N)(CCO)c1cc(Cl)ccc1I
InChIInChI=1S/C10H13ClINO/c1-10(13,4-5-14)8-6-7(11)2-3-9(8)12/h2-3,6,14H,4-5,13H2,1H3/t10-/m0/s1
InChIKeyLQGNCVYZENUGHB-JTQLQIEISA-N
MW325.58 g/mol
LogP2.50
Rot. Bonds3

About (3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol

(3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol (PubChem CID 130625511) has the molecular formula C10H13ClINO and a molecular weight of 325.58 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol
PubChem CID130625511
Molecular FormulaC10H13ClINO
Molecular Weight325.58 g/mol
Exact Mass324.97
IUPAC Name(3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol
SMILESC[C@](N)(CCO)c1cc(Cl)ccc1I
InChIInChI=1S/C10H13ClINO/c1-10(13,4-5-14)8-6-7(11)2-3-9(8)12/h2-3,6,14H,4-5,13H2,1H3/t10-/m0/s1
InChIKeyLQGNCVYZENUGHB-JTQLQIEISA-N
XLogP2.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol?
The IUPAC name of (3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol (CID 130625511) is (3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol is C[C@](N)(CCO)c1cc(Cl)ccc1I.
What is the InChIKey of (3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol?
The InChIKey is LQGNCVYZENUGHB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13ClINO/c1-10(13,4-5-14)8-6-7(11)2-3-9(8)12/h2-3,6,14H,4-5,13H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol?
(3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol has a molecular weight of 325.58 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(5-chloro-2-iodophenyl)butan-1-ol is sourced from PubChem (CID 130625511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).