5-(3-iodoanilino)pentan-1-ol

C11H16INO — CID 62228446

IUPAC5-(3-iodoanilino)pentan-1-ol
SMILESOCCCCCNc1cccc(I)c1
InChIInChI=1S/C11H16INO/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-14/h4-6,9,13-14H,1-3,7-8H2
InChIKeyAYBRKBGMVQADPE-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.87
Rot. Bonds6

About 5-(3-iodoanilino)pentan-1-ol

5-(3-iodoanilino)pentan-1-ol (PubChem CID 62228446) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is 5-(3-iodoanilino)pentan-1-ol.

Molecular Properties

Compound Name5-(3-iodoanilino)pentan-1-ol
PubChem CID62228446
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name5-(3-iodoanilino)pentan-1-ol
SMILESOCCCCCNc1cccc(I)c1
InChIInChI=1S/C11H16INO/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-14/h4-6,9,13-14H,1-3,7-8H2
InChIKeyAYBRKBGMVQADPE-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.87
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

5-(3-bromoanilino)pentan-1-ol
CID 62227140
10-anilinodecan-1-ol
CID 10955954
3-(5-hydroxypentylamino)benzoic acid
CID 107319684
6-(3-phenoxyanilino)hexan-1-ol
CID 103867980
5-hydroxy-N-(3-iodophenyl)pentanamide
CID 79199444
6-(3,4-dichloroanilino)hexan-1-ol
CID 103801947
4-hydroxy-N-(3-iodophenyl)butanamide
CID 79204561
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247
1-[2-(3-iodoanilino)ethyl]cyclopropan-1-ol
CID 130617444
2-(hydroxymethyl)-4-(5-hydroxypentylamino)phenol
CID 112722156
4-(2-chloro-4-iodoanilino)butan-1-ol
CID 107606514
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008

Frequently Asked Questions

What is the IUPAC name of 5-(3-iodoanilino)pentan-1-ol?
The IUPAC name of 5-(3-iodoanilino)pentan-1-ol (CID 62228446) is 5-(3-iodoanilino)pentan-1-ol.
What is the SMILES notation for 5-(3-iodoanilino)pentan-1-ol?
The canonical SMILES for 5-(3-iodoanilino)pentan-1-ol is OCCCCCNc1cccc(I)c1.
What is the InChIKey of 5-(3-iodoanilino)pentan-1-ol?
The InChIKey is AYBRKBGMVQADPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c12-10-5-4-6-11(9-10)13-7-2-1-3-8-14/h4-6,9,13-14H,1-3,7-8H2.
What are the key properties of 5-(3-iodoanilino)pentan-1-ol?
5-(3-iodoanilino)pentan-1-ol has a molecular weight of 305.16 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodoanilino)pentan-1-ol is sourced from PubChem (CID 62228446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).