1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol

C12H17ClINO2 — CID 113442189

IUPAC1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNc1cc(I)ccc1Cl
InChIInChI=1S/C12H17ClINO2/c1-8(2)17-7-10(16)6-15-12-5-9(14)3-4-11(12)13/h3-5,8,10,15-16H,6-7H2,1-2H3
InChIKeyKAKSOPQRUZCJMS-UHFFFAOYSA-N
MW369.63 g/mol
LogP3.14
Rot. Bonds6

About 1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol

1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol (PubChem CID 113442189) has the molecular formula C12H17ClINO2 and a molecular weight of 369.63 g/mol. Its IUPAC name is 1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol
PubChem CID113442189
Molecular FormulaC12H17ClINO2
Molecular Weight369.63 g/mol
Exact Mass369.00
IUPAC Name1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNc1cc(I)ccc1Cl
InChIInChI=1S/C12H17ClINO2/c1-8(2)17-7-10(16)6-15-12-5-9(14)3-4-11(12)13/h3-5,8,10,15-16H,6-7H2,1-2H3
InChIKeyKAKSOPQRUZCJMS-UHFFFAOYSA-N
XLogP3.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.63
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-5-iodoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 114259977
1-(2,5-dichloroanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989019
1-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 60902154
1-(2,5-dimethylanilino)-3-propan-2-yloxypropan-2-ol
CID 60899958
1-(2-propan-2-yloxyethoxy)-3-(2,4,5-trichloroanilino)propan-2-ol
CID 60896346
1-(2-chloro-4-iodoanilino)-3-(4-chlorophenoxy)propan-2-ol
CID 107606298
1-(4-bromo-2-fluoroanilino)-3-propan-2-yloxypropan-2-ol
CID 60897126
1-anilino-3-propan-2-yloxypropan-2-ol
CID 2880916
1-propan-2-yloxy-3-(2,4,6-tribromoanilino)propan-2-ol
CID 60900042
1-(4-bromophenoxy)-3-(2-chloro-4-iodoanilino)propan-2-ol
CID 107606464
1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol
CID 66080338
1-[(1,3-dimethylpyrazol-4-yl)amino]-3-propan-2-yloxypropan-2-ol
CID 102805094

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol (CID 113442189) is 1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNc1cc(I)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol?
The InChIKey is KAKSOPQRUZCJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClINO2/c1-8(2)17-7-10(16)6-15-12-5-9(14)3-4-11(12)13/h3-5,8,10,15-16H,6-7H2,1-2H3.
What are the key properties of 1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol?
1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol has a molecular weight of 369.63 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 113442189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).