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

C10H15IN2O — CID 83177225

IUPAC3-(2-amino-4-iodoanilino)butan-1-ol
SMILESCC(CCO)Nc1ccc(I)cc1N
InChIInChI=1S/C10H15IN2O/c1-7(4-5-14)13-10-3-2-8(11)6-9(10)12/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyMDBCJHHWOJRNSF-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.06
Rot. Bonds4

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

3-(2-amino-4-iodoanilino)butan-1-ol (PubChem CID 83177225) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is 3-(2-amino-4-iodoanilino)butan-1-ol.

Molecular Properties

Compound Name3-(2-amino-4-iodoanilino)butan-1-ol
PubChem CID83177225
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC Name3-(2-amino-4-iodoanilino)butan-1-ol
SMILESCC(CCO)Nc1ccc(I)cc1N
InChIInChI=1S/C10H15IN2O/c1-7(4-5-14)13-10-3-2-8(11)6-9(10)12/h2-3,6-7,13-14H,4-5,12H2,1H3
InChIKeyMDBCJHHWOJRNSF-UHFFFAOYSA-N
XLogP2.06
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-amino-4-iodoanilino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-(4-hydroxybutan-2-ylamino)benzonitrile
CID 83177951
2-(2-amino-4-iodoanilino)propane-1,3-diol
CID 66081930
3-(2-amino-4-iodoanilino)-2-methylsulfanylbutan-1-ol
CID 106154806
1-N-(3-ethylpentan-2-yl)-4-iodobenzene-1,2-diamine
CID 66079740
1-N-(3,3-dimethylbutan-2-yl)-4-iodobenzene-1,2-diamine
CID 104827380
3-(2-amino-5-chloroanilino)butan-1-ol
CID 83176405
5-(2-amino-4-iodoanilino)-2-methylpentan-1-ol
CID 106154281
5-amino-2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83177707
1-N-[1-(4-chlorophenyl)ethyl]-4-iodobenzene-1,2-diamine
CID 66065911
2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
CID 103388462
2-chloro-4-iodo-N-pentan-2-ylaniline
CID 43733727
4-iodo-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 43717102

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-iodoanilino)butan-1-ol?
The IUPAC name of 3-(2-amino-4-iodoanilino)butan-1-ol (CID 83177225) is 3-(2-amino-4-iodoanilino)butan-1-ol.
What is the SMILES notation for 3-(2-amino-4-iodoanilino)butan-1-ol?
The canonical SMILES for 3-(2-amino-4-iodoanilino)butan-1-ol is CC(CCO)Nc1ccc(I)cc1N.
What is the InChIKey of 3-(2-amino-4-iodoanilino)butan-1-ol?
The InChIKey is MDBCJHHWOJRNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O/c1-7(4-5-14)13-10-3-2-8(11)6-9(10)12/h2-3,6-7,13-14H,4-5,12H2,1H3.
What are the key properties of 3-(2-amino-4-iodoanilino)butan-1-ol?
3-(2-amino-4-iodoanilino)butan-1-ol has a molecular weight of 306.15 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-iodoanilino)butan-1-ol is sourced from PubChem (CID 83177225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).