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

C15H24INO3 — CID 60900613

IUPAC1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
SMILESCCCCOCCOCC(O)CNc1cccc(I)c1
InChIInChI=1S/C15H24INO3/c1-2-3-7-19-8-9-20-12-15(18)11-17-14-6-4-5-13(16)10-14/h4-6,10,15,17-18H,2-3,7-9,11-12H2,1H3
InChIKeyDCJOUYAAPLLTEQ-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.90
Rot. Bonds11

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

1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol (PubChem CID 60900613) has the molecular formula C15H24INO3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol.

Molecular Properties

Compound Name1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
PubChem CID60900613
Molecular FormulaC15H24INO3
Molecular Weight393.27 g/mol
Exact Mass393.08
IUPAC Name1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
SMILESCCCCOCCOCC(O)CNc1cccc(I)c1
InChIInChI=1S/C15H24INO3/c1-2-3-7-19-8-9-20-12-15(18)11-17-14-6-4-5-13(16)10-14/h4-6,10,15,17-18H,2-3,7-9,11-12H2,1H3
InChIKeyDCJOUYAAPLLTEQ-UHFFFAOYSA-N
XLogP2.90
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(2-butoxyethoxy)-3-(3-ethynylanilino)propan-2-ol
CID 60902499
1-(2-butoxyethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901639
1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
1-[4-[(2-hydroxy-3-tricosoxypropyl)amino]anilino]-3-tricosoxypropan-2-ol
CID 155231485
1-(4-bromo-3-methylanilino)-3-butoxypropan-2-ol
CID 107262463
1-(3-iodoanilino)-3-(2-methoxyphenoxy)propan-2-ol
CID 60900225
1-(3-bromoanilino)-3-(2-ethoxyethoxy)propan-2-ol
CID 60898341
1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
CID 60897562
1-(2-butoxyethoxy)-3-(2,3-dichloroanilino)propan-2-ol
CID 60899614
[2-hydroxy-3-(3-iodoanilino)propyl] 2-methylbutanoate
CID 59017798
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
1-(3-ethylanilino)-3-(4-methylpentoxy)propan-2-ol
CID 60900514

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol?
The IUPAC name of 1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol (CID 60900613) is 1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol.
What is the SMILES notation for 1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol?
The canonical SMILES for 1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol is CCCCOCCOCC(O)CNc1cccc(I)c1.
What is the InChIKey of 1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol?
The InChIKey is DCJOUYAAPLLTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24INO3/c1-2-3-7-19-8-9-20-12-15(18)11-17-14-6-4-5-13(16)10-14/h4-6,10,15,17-18H,2-3,7-9,11-12H2,1H3.
What are the key properties of 1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol?
1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol has a molecular weight of 393.27 g/mol, XLogP of 2.90, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol is sourced from PubChem (CID 60900613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).