2-(2-amino-4-iodoanilino)propane-1,3-diol

C9H13IN2O2 — CID 66081930

IUPAC2-(2-amino-4-iodoanilino)propane-1,3-diol
SMILESNc1cc(I)ccc1NC(CO)CO
InChIInChI=1S/C9H13IN2O2/c10-6-1-2-9(8(11)3-6)12-7(4-13)5-14/h1-3,7,12-14H,4-5,11H2
InChIKeyCZNAKYIYVMGXRD-UHFFFAOYSA-N
MW308.12 g/mol
LogP0.64
Rot. Bonds4

About 2-(2-amino-4-iodoanilino)propane-1,3-diol

2-(2-amino-4-iodoanilino)propane-1,3-diol (PubChem CID 66081930) has the molecular formula C9H13IN2O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 2-(2-amino-4-iodoanilino)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-amino-4-iodoanilino)propane-1,3-diol
PubChem CID66081930
Molecular FormulaC9H13IN2O2
Molecular Weight308.12 g/mol
Exact Mass308.00
IUPAC Name2-(2-amino-4-iodoanilino)propane-1,3-diol
SMILESNc1cc(I)ccc1NC(CO)CO
InChIInChI=1S/C9H13IN2O2/c10-6-1-2-9(8(11)3-6)12-7(4-13)5-14/h1-3,7,12-14H,4-5,11H2
InChIKeyCZNAKYIYVMGXRD-UHFFFAOYSA-N
XLogP0.64
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-4-iodoanilino)butan-1-ol
CID 83177225
3-(2-amino-4-iodoanilino)-2-methylsulfanylbutan-1-ol
CID 106154806
2-(2-amino-5-fluoro-4-iodoanilino)propane-1,3-diol
CID 66102489
1-N-(3-ethylpentan-2-yl)-4-iodobenzene-1,2-diamine
CID 66079740
3-amino-4-(1,3-dihydroxypropan-2-ylamino)-N-methylbenzenesulfonamide
CID 65310174
1-N-(3,3-dimethylbutan-2-yl)-4-iodobenzene-1,2-diamine
CID 104827380
5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol
CID 106154281
2-(2-amino-4-iodoanilino)-N-methylacetamide
CID 66066263
1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine
CID 66065911
2-[4-amino-2-(difluoromethyl)anilino]propane-1,3-diol
CID 65310224
2-(2-amino-4-chloro-5-fluoroanilino)propane-1,3-diol
CID 66077669
2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol
CID 66099680

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-iodoanilino)propane-1,3-diol?
The IUPAC name of 2-(2-amino-4-iodoanilino)propane-1,3-diol (CID 66081930) is 2-(2-amino-4-iodoanilino)propane-1,3-diol.
What is the SMILES notation for 2-(2-amino-4-iodoanilino)propane-1,3-diol?
The canonical SMILES for 2-(2-amino-4-iodoanilino)propane-1,3-diol is Nc1cc(I)ccc1NC(CO)CO.
What is the InChIKey of 2-(2-amino-4-iodoanilino)propane-1,3-diol?
The InChIKey is CZNAKYIYVMGXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O2/c10-6-1-2-9(8(11)3-6)12-7(4-13)5-14/h1-3,7,12-14H,4-5,11H2.
What are the key properties of 2-(2-amino-4-iodoanilino)propane-1,3-diol?
2-(2-amino-4-iodoanilino)propane-1,3-diol has a molecular weight of 308.12 g/mol, XLogP of 0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-iodoanilino)propane-1,3-diol is sourced from PubChem (CID 66081930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).