1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol

C10H14INO2 — CID 171859200

IUPAC1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cccc(I)c1
InChIInChI=1S/C10H14INO2/c1-12-6-9(13)10(14)7-3-2-4-8(11)5-7/h2-5,9-10,12-14H,6H2,1H3
InChIKeySWPHWIDFORTWRT-UHFFFAOYSA-N
MW307.13 g/mol
LogP0.90
Rot. Bonds4

About 1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol

1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171859200) has the molecular formula C10H14INO2 and a molecular weight of 307.13 g/mol. Its IUPAC name is 1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol
PubChem CID171859200
Molecular FormulaC10H14INO2
Molecular Weight307.13 g/mol
Exact Mass307.01
IUPAC Name1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1cccc(I)c1
InChIInChI=1S/C10H14INO2/c1-12-6-9(13)10(14)7-3-2-4-8(11)5-7/h2-5,9-10,12-14H,6H2,1H3
InChIKeySWPHWIDFORTWRT-UHFFFAOYSA-N
XLogP0.90
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)-1-[3-(methylamino)phenyl]propane-1,2-diol
CID 171857694
1-[3-(difluoromethyl)phenyl]-3-(methylamino)propane-1,2-diol
CID 171857797
N-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetamide
CID 171858433
3-(methylamino)-1-(3-nitrophenyl)propane-1,2-diol
CID 171858052
3-(methylamino)-1-[3-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171858529
[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]urea
CID 171858335
3-(methylamino)-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propane-1,2-diol
CID 171858976
1-[3-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]cyclopropane-1-carboxylic acid
CID 171858743
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
2-[1,2-dihydroxy-3-(methylamino)propyl]fluoren-9-one
CID 171858964
3-(methylamino)-1-(4-sulfanylphenyl)propane-1,2-diol
CID 171857392
1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol
CID 171859019

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol (CID 171859200) is 1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1cccc(I)c1.
What is the InChIKey of 1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is SWPHWIDFORTWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO2/c1-12-6-9(13)10(14)7-3-2-4-8(11)5-7/h2-5,9-10,12-14H,6H2,1H3.
What are the key properties of 1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol?
1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 307.13 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171859200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).