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

C15H22INO2 — CID 60899841

IUPAC1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
SMILESOC(CNc1cccc(I)c1)COC1CCCCC1
InChIInChI=1S/C15H22INO2/c16-12-5-4-6-13(9-12)17-10-14(18)11-19-15-7-2-1-3-8-15/h4-6,9,14-15,17-18H,1-3,7-8,10-11H2
InChIKeyGVODQRPLEICXCX-UHFFFAOYSA-N
MW375.25 g/mol
LogP3.41
Rot. Bonds6

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

1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol (PubChem CID 60899841) has the molecular formula C15H22INO2 and a molecular weight of 375.25 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
PubChem CID60899841
Molecular FormulaC15H22INO2
Molecular Weight375.25 g/mol
Exact Mass375.07
IUPAC Name1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
SMILESOC(CNc1cccc(I)c1)COC1CCCCC1
InChIInChI=1S/C15H22INO2/c16-12-5-4-6-13(9-12)17-10-14(18)11-19-15-7-2-1-3-8-15/h4-6,9,14-15,17-18H,1-3,7-8,10-11H2
InChIKeyGVODQRPLEICXCX-UHFFFAOYSA-N
XLogP3.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 53.41
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-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
CID 107811167
1-cyclopentyloxy-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898492
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol
CID 60900166
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
CID 66251349
1-(2-butoxyethoxy)-3-(3-iodoanilino)propan-2-ol
CID 60900613
2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile
CID 62301181
1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol
CID 63488175
1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60900625

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol (CID 60899841) is 1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol is OC(CNc1cccc(I)c1)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol?
The InChIKey is GVODQRPLEICXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22INO2/c16-12-5-4-6-13(9-12)17-10-14(18)11-19-15-7-2-1-3-8-15/h4-6,9,14-15,17-18H,1-3,7-8,10-11H2.
What are the key properties of 1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol?
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol has a molecular weight of 375.25 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol is sourced from PubChem (CID 60899841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).