4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol

C10H11I2NO — CID 130731094

IUPAC4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol
SMILESN[C@H](c1cc(I)c(O)c(I)c1)C1CC1
InChIInChI=1S/C10H11I2NO/c11-7-3-6(4-8(12)10(7)14)9(13)5-1-2-5/h3-5,9,14H,1-2,13H2/t9-/m0/s1
InChIKeySMEWBRFKHLIRLW-VIFPVBQESA-N
MW415.01 g/mol
LogP3.01
Rot. Bonds2

About 4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol

4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol (PubChem CID 130731094) has the molecular formula C10H11I2NO and a molecular weight of 415.01 g/mol. Its IUPAC name is 4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol.

Molecular Properties

Compound Name4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol
PubChem CID130731094
Molecular FormulaC10H11I2NO
Molecular Weight415.01 g/mol
Exact Mass414.89
IUPAC Name4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol
SMILESN[C@H](c1cc(I)c(O)c(I)c1)C1CC1
InChIInChI=1S/C10H11I2NO/c11-7-3-6(4-8(12)10(7)14)9(13)5-1-2-5/h3-5,9,14H,1-2,13H2/t9-/m0/s1
InChIKeySMEWBRFKHLIRLW-VIFPVBQESA-N
XLogP3.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.01
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(R)-amino(cyclopropyl)methyl]-2,6-dibromophenol;hydrochloride
CID 171200000
4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
CID 171224638
4-[(R)-amino(cyclopentyl)methyl]-2,6-ditert-butylphenol
CID 171197827
2-[(S)-amino(cyclohexyl)methyl]-4,6-diiodophenol
CID 171235517
cyclopropyl-(3,5-difluorophenyl)methanamine
CID 62789483
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2,6-diiodophenol
CID 171283871
4-[(S)-amino(cyclohexyl)methyl]-2,6-ditert-butylphenol;hydrochloride
CID 171217339
3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 131036736
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride
CID 171244914
4-[(R)-amino(cyclopropyl)methyl]benzene-1,2-diol;hydrochloride
CID 171198097
(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 63415986
4-[(R)-amino(cyclopropyl)methyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171207484

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol?
The IUPAC name of 4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol (CID 130731094) is 4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol.
What is the SMILES notation for 4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol?
The canonical SMILES for 4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol is N[C@H](c1cc(I)c(O)c(I)c1)C1CC1.
What is the InChIKey of 4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol?
The InChIKey is SMEWBRFKHLIRLW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11I2NO/c11-7-3-6(4-8(12)10(7)14)9(13)5-1-2-5/h3-5,9,14H,1-2,13H2/t9-/m0/s1.
What are the key properties of 4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol?
4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol has a molecular weight of 415.01 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-amino(cyclopropyl)methyl]-2,6-diiodophenol is sourced from PubChem (CID 130731094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).