1-chloro-3-(3-iodoanilino)propan-2-ol

C9H11ClINO — CID 168641034

IUPAC1-chloro-3-(3-iodoanilino)propan-2-ol
SMILESOC(CCl)CNc1cccc(I)c1
InChIInChI=1S/C9H11ClINO/c10-5-9(13)6-12-8-3-1-2-7(11)4-8/h1-4,9,12-13H,5-6H2
InChIKeyBSRBSZSHKVOXAU-UHFFFAOYSA-N
MW311.55 g/mol
LogP2.30
Rot. Bonds4

About 1-chloro-3-(3-iodoanilino)propan-2-ol

1-chloro-3-(3-iodoanilino)propan-2-ol (PubChem CID 168641034) has the molecular formula C9H11ClINO and a molecular weight of 311.55 g/mol. Its IUPAC name is 1-chloro-3-(3-iodoanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(3-iodoanilino)propan-2-ol
PubChem CID168641034
Molecular FormulaC9H11ClINO
Molecular Weight311.55 g/mol
Exact Mass310.96
IUPAC Name1-chloro-3-(3-iodoanilino)propan-2-ol
SMILESOC(CCl)CNc1cccc(I)c1
InChIInChI=1S/C9H11ClINO/c10-5-9(13)6-12-8-3-1-2-7(11)4-8/h1-4,9,12-13H,5-6H2
InChIKeyBSRBSZSHKVOXAU-UHFFFAOYSA-N
XLogP2.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.55
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-[3-(hydroxymethyl)anilino]propan-2-ol
CID 168636282
1-anilino-3-chloropropan-2-ol
CID 3640254
1-chloro-3-(3-propan-2-ylanilino)propan-2-ol
CID 168640793
1-chloro-3-(3-methylsulfanylanilino)propan-2-ol
CID 168600816
1-chloro-3-(3-ethynylanilino)propan-2-ol
CID 168636271
ethyl 3-hydroxy-4-(3-iodoanilino)butanoate
CID 103236703
1-chloro-3-(3-phenoxyanilino)propan-2-ol
CID 168636658
1-chloro-3-[3-(4-chlorophenyl)anilino]propan-2-ol
CID 168637298
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol
CID 60900225
1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol
CID 63489373
N-[3-[(3-chloro-2-hydroxypropyl)amino]phenyl]methanesulfonamide
CID 168636645

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-iodoanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(3-iodoanilino)propan-2-ol (CID 168641034) is 1-chloro-3-(3-iodoanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(3-iodoanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(3-iodoanilino)propan-2-ol is OC(CCl)CNc1cccc(I)c1.
What is the InChIKey of 1-chloro-3-(3-iodoanilino)propan-2-ol?
The InChIKey is BSRBSZSHKVOXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClINO/c10-5-9(13)6-12-8-3-1-2-7(11)4-8/h1-4,9,12-13H,5-6H2.
What are the key properties of 1-chloro-3-(3-iodoanilino)propan-2-ol?
1-chloro-3-(3-iodoanilino)propan-2-ol has a molecular weight of 311.55 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-iodoanilino)propan-2-ol is sourced from PubChem (CID 168641034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).