1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol

C10H15IN2O2 — CID 66080338

IUPAC1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccc(I)cc1N
InChIInChI=1S/C10H15IN2O2/c1-15-6-8(14)5-13-10-3-2-7(11)4-9(10)12/h2-4,8,13-14H,5-6,12H2,1H3
InChIKeyZKSKABHBYMQIRY-UHFFFAOYSA-N
MW322.15 g/mol
LogP1.29
Rot. Bonds5

About 1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol

1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol (PubChem CID 66080338) has the molecular formula C10H15IN2O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol
PubChem CID66080338
Molecular FormulaC10H15IN2O2
Molecular Weight322.15 g/mol
Exact Mass322.02
IUPAC Name1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol
SMILESCOCC(O)CNc1ccc(I)cc1N
InChIInChI=1S/C10H15IN2O2/c1-15-6-8(14)5-13-10-3-2-7(11)4-9(10)12/h2-4,8,13-14H,5-6,12H2,1H3
InChIKeyZKSKABHBYMQIRY-UHFFFAOYSA-N
XLogP1.29
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 51.29
H-Bond Donors ≤ 53
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

1-(2-amino-5-bromo-4-fluoroanilino)-3-methoxypropan-2-ol
CID 116735989
methyl 2-(2-amino-4-iodoanilino)acetate
CID 66066838
1-(4-amino-3-methylanilino)-3-methoxypropan-2-ol
CID 23104377
1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929657
5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol
CID 106154281
1-(2-chloroanilino)-3-methoxypropan-2-ol
CID 63929228
1-(2-chloro-5-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 113442189
4-(4-amino-2-iodoanilino)-1-methoxybutan-2-ol
CID 106243071
2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116501073
2-amino-3-[(2-hydroxy-3-methoxypropyl)amino]benzonitrile
CID 104716802
1-(2-chloro-5-iodoanilino)-3-(2-methylpropoxy)propan-2-ol
CID 114259977
2-(2-amino-4-iodoanilino)-N-methylacetamide
CID 66066263

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol (CID 66080338) is 1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol is COCC(O)CNc1ccc(I)cc1N.
What is the InChIKey of 1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol?
The InChIKey is ZKSKABHBYMQIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O2/c1-15-6-8(14)5-13-10-3-2-7(11)4-9(10)12/h2-4,8,13-14H,5-6,12H2,1H3.
What are the key properties of 1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol?
1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol has a molecular weight of 322.15 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol is sourced from PubChem (CID 66080338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).