2-(2-aminopropyl)-4-iodo-6-methylphenol

C10H14INO — CID 14265625

IUPAC2-(2-aminopropyl)-4-iodo-6-methylphenol
SMILESCc1cc(I)cc(CC(C)N)c1O
InChIInChI=1S/C10H14INO/c1-6-3-9(11)5-8(10(6)13)4-7(2)12/h3,5,7,13H,4,12H2,1-2H3
InChIKeyHNBNXEDWFJBAHJ-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.19
Rot. Bonds2

About 2-(2-aminopropyl)-4-iodo-6-methylphenol

2-(2-aminopropyl)-4-iodo-6-methylphenol (PubChem CID 14265625) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is 2-(2-aminopropyl)-4-iodo-6-methylphenol.

Molecular Properties

Compound Name2-(2-aminopropyl)-4-iodo-6-methylphenol
PubChem CID14265625
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name2-(2-aminopropyl)-4-iodo-6-methylphenol
SMILESCc1cc(I)cc(CC(C)N)c1O
InChIInChI=1S/C10H14INO/c1-6-3-9(11)5-8(10(6)13)4-7(2)12/h3,5,7,13H,4,12H2,1-2H3
InChIKeyHNBNXEDWFJBAHJ-UHFFFAOYSA-N
XLogP2.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-aminopropyl)-4-iodo-6-methylphenol 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

2-(hydroxymethyl)-4-iodo-6-methylphenol
CID 74655415
1-(5-iodo-2-methylphenyl)propan-2-amine
CID 130041396
(2R)-1-(2-bromo-5-iodophenyl)propan-2-amine
CID 130617491
2-[(1S)-1,2-diaminoethyl]-4-iodo-6-methylphenol
CID 131026853
4-iodo-2-methyl-6-propan-2-ylphenol
CID 158347336
5-[(2R)-2-aminopropyl]-3-methylbenzene-1,2-diol
CID 89349116
2-(2-aminopropyl)-4-bromo-3,6-dimethylphenol
CID 117398502
2-(2-aminobutyl)-4,6-diiodophenol
CID 131060638
1-(4-iodo-2-methoxy-5-methylphenyl)propan-2-amine
CID 167705382
2-(2-aminopropyl)-6-[(dimethylamino)methyl]-4-methylphenol
CID 117318763
2-(2-aminopropyl)-6-tert-butyl-4-methylphenol
CID 117317029
3-(dimethylazaniumyl)propyl-[(2-hydroxy-5-iodo-3-methylphenyl)methyl]-methylazanium dichloride
CID 2737336

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropyl)-4-iodo-6-methylphenol?
The IUPAC name of 2-(2-aminopropyl)-4-iodo-6-methylphenol (CID 14265625) is 2-(2-aminopropyl)-4-iodo-6-methylphenol.
What is the SMILES notation for 2-(2-aminopropyl)-4-iodo-6-methylphenol?
The canonical SMILES for 2-(2-aminopropyl)-4-iodo-6-methylphenol is Cc1cc(I)cc(CC(C)N)c1O.
What is the InChIKey of 2-(2-aminopropyl)-4-iodo-6-methylphenol?
The InChIKey is HNBNXEDWFJBAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO/c1-6-3-9(11)5-8(10(6)13)4-7(2)12/h3,5,7,13H,4,12H2,1-2H3.
What are the key properties of 2-(2-aminopropyl)-4-iodo-6-methylphenol?
2-(2-aminopropyl)-4-iodo-6-methylphenol has a molecular weight of 291.13 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropyl)-4-iodo-6-methylphenol is sourced from PubChem (CID 14265625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).