1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol

C12H18INO2 — CID 14099143

IUPAC1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1cccc(I)c1
InChIInChI=1S/C12H18INO2/c1-9(2)14-7-11(15)8-16-12-5-3-4-10(13)6-12/h3-6,9,11,14-15H,7-8H2,1-2H3
InChIKeyBYKVWWXJHBNHGD-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.03
Rot. Bonds6

About 1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol

1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 14099143) has the molecular formula C12H18INO2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID14099143
Molecular FormulaC12H18INO2
Molecular Weight335.19 g/mol
Exact Mass335.04
IUPAC Name1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1cccc(I)c1
InChIInChI=1S/C12H18INO2/c1-9(2)14-7-11(15)8-16-12-5-3-4-10(13)6-12/h3-6,9,11,14-15H,7-8H2,1-2H3
InChIKeyBYKVWWXJHBNHGD-UHFFFAOYSA-N
XLogP2.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.03
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

3-(3-iodophenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62486584
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 101042913
[3-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl nitrate
CID 13376602
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
N-ethyl-3-(3-iodophenoxy)-2-methylpropan-1-amine
CID 62486582
2-(3-iodophenoxy)-N-propan-2-ylbutan-1-amine
CID 62486400
1-(3-bromo-4-fluorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 83231577

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol (CID 14099143) is 1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is BYKVWWXJHBNHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18INO2/c1-9(2)14-7-11(15)8-16-12-5-3-4-10(13)6-12/h3-6,9,11,14-15H,7-8H2,1-2H3.
What are the key properties of 1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol?
1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 335.19 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 14099143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).