2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol

C10H12INO — CID 131218158

IUPAC2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol
SMILESN[C@@H](c1cc(I)ccc1O)C1CC1
InChIInChI=1S/C10H12INO/c11-7-3-4-9(13)8(5-7)10(12)6-1-2-6/h3-6,10,13H,1-2,12H2/t10-/m1/s1
InChIKeyHHZZZOSFPSKRAG-SNVBAGLBSA-N
MW289.12 g/mol
LogP2.41
Rot. Bonds2

About 2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol

2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol (PubChem CID 131218158) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is 2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol
PubChem CID131218158
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol
SMILESN[C@@H](c1cc(I)ccc1O)C1CC1
InChIInChI=1S/C10H12INO/c11-7-3-4-9(13)8(5-7)10(12)6-1-2-6/h3-6,10,13H,1-2,12H2/t10-/m1/s1
InChIKeyHHZZZOSFPSKRAG-SNVBAGLBSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[(R)-amino(cyclopropyl)methyl]-4-hydroxybenzonitrile
CID 55263376
2-[(R)-amino(cyclopropyl)methyl]phenol;hydrochloride
CID 171200964
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
2-[(S)-amino(cyclobutyl)methyl]-4-chlorophenol;hydrochloride
CID 171217140
2-[(R)-amino(cyclobutyl)methyl]-4-methylphenol
CID 130715159
(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
CID 171216193
2-[(R)-amino(cyclopropyl)methyl]-4,5-difluorophenol
CID 55274847
4-[(R)-amino(cyclopropyl)methyl]benzene-1,3-diol;hydrochloride
CID 171200126
cyclobutyl-(4-iodo-2-methylphenyl)methanamine
CID 130061284
2-[(S)-amino(cyclopentyl)methyl]phenol
CID 130665653
2-(1-amino-2-cyclopropylethyl)-5-iodophenol
CID 130062553
2-[(S)-amino(cyclohexyl)methyl]-4,6-diiodophenol
CID 171235517

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol?
The IUPAC name of 2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol (CID 131218158) is 2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol.
What is the SMILES notation for 2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol?
The canonical SMILES for 2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol is N[C@@H](c1cc(I)ccc1O)C1CC1.
What is the InChIKey of 2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol?
The InChIKey is HHZZZOSFPSKRAG-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H12INO/c11-7-3-4-9(13)8(5-7)10(12)6-1-2-6/h3-6,10,13H,1-2,12H2/t10-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol?
2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol has a molecular weight of 289.12 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol is sourced from PubChem (CID 131218158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).