4-(2-chloro-4-iodoanilino)butan-1-ol

C10H13ClINO — CID 107606514

IUPAC4-(2-chloro-4-iodoanilino)butan-1-ol
SMILESOCCCCNc1ccc(I)cc1Cl
InChIInChI=1S/C10H13ClINO/c11-9-7-8(12)3-4-10(9)13-5-1-2-6-14/h3-4,7,13-14H,1-2,5-6H2
InChIKeyQHBJBISHRJLGSL-UHFFFAOYSA-N
MW325.58 g/mol
LogP3.13
Rot. Bonds5

About 4-(2-chloro-4-iodoanilino)butan-1-ol

4-(2-chloro-4-iodoanilino)butan-1-ol (PubChem CID 107606514) has the molecular formula C10H13ClINO and a molecular weight of 325.58 g/mol. Its IUPAC name is 4-(2-chloro-4-iodoanilino)butan-1-ol.

Molecular Properties

Compound Name4-(2-chloro-4-iodoanilino)butan-1-ol
PubChem CID107606514
Molecular FormulaC10H13ClINO
Molecular Weight325.58 g/mol
Exact Mass324.97
IUPAC Name4-(2-chloro-4-iodoanilino)butan-1-ol
SMILESOCCCCNc1ccc(I)cc1Cl
InChIInChI=1S/C10H13ClINO/c11-9-7-8(12)3-4-10(9)13-5-1-2-6-14/h3-4,7,13-14H,1-2,5-6H2
InChIKeyQHBJBISHRJLGSL-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-iodo-N-octylaniline
CID 63445374
N-butyl-2-chloro-4-iodoaniline
CID 43733829
2-chloro-N-(3-ethoxypropyl)-4-iodoaniline
CID 107606523
2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline
CID 107606379
N-(2-butoxyethyl)-2-chloro-4-iodoaniline
CID 107606504
2-chloro-4-iodo-N-(2-pyridin-4-ylethyl)aniline
CID 107606595
3-[4-[(2-chloro-4-iodoanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270447
4-(2-amino-4,5-dichloroanilino)butan-1-ol
CID 101197853
5-(2-amino-4-chloroanilino)pentan-1-ol
CID 107316433
5-(5-bromo-2-chloroanilino)pentan-1-ol
CID 62914130
2-chloro-N-(2-chloro-4-iodophenyl)acetamide
CID 43701527
6-(2,4-diaminoanilino)hexan-1-ol
CID 143590092

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-iodoanilino)butan-1-ol?
The IUPAC name of 4-(2-chloro-4-iodoanilino)butan-1-ol (CID 107606514) is 4-(2-chloro-4-iodoanilino)butan-1-ol.
What is the SMILES notation for 4-(2-chloro-4-iodoanilino)butan-1-ol?
The canonical SMILES for 4-(2-chloro-4-iodoanilino)butan-1-ol is OCCCCNc1ccc(I)cc1Cl.
What is the InChIKey of 4-(2-chloro-4-iodoanilino)butan-1-ol?
The InChIKey is QHBJBISHRJLGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClINO/c11-9-7-8(12)3-4-10(9)13-5-1-2-6-14/h3-4,7,13-14H,1-2,5-6H2.
What are the key properties of 4-(2-chloro-4-iodoanilino)butan-1-ol?
4-(2-chloro-4-iodoanilino)butan-1-ol has a molecular weight of 325.58 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-iodoanilino)butan-1-ol is sourced from PubChem (CID 107606514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).