2-(1-amino-2-cyclopropylethyl)-5-iodophenol

C11H14INO — CID 130062553

IUPAC2-(1-amino-2-cyclopropylethyl)-5-iodophenol
SMILESNC(CC1CC1)c1ccc(I)cc1O
InChIInChI=1S/C11H14INO/c12-8-3-4-9(11(14)6-8)10(13)5-7-1-2-7/h3-4,6-7,10,14H,1-2,5,13H2
InChIKeyIHSFYTIVZZRNSY-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.80
Rot. Bonds3

About 2-(1-amino-2-cyclopropylethyl)-5-iodophenol

2-(1-amino-2-cyclopropylethyl)-5-iodophenol (PubChem CID 130062553) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-(1-amino-2-cyclopropylethyl)-5-iodophenol.

Molecular Properties

Compound Name2-(1-amino-2-cyclopropylethyl)-5-iodophenol
PubChem CID130062553
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name2-(1-amino-2-cyclopropylethyl)-5-iodophenol
SMILESNC(CC1CC1)c1ccc(I)cc1O
InChIInChI=1S/C11H14INO/c12-8-3-4-9(11(14)6-8)10(13)5-7-1-2-7/h3-4,6-7,10,14H,1-2,5,13H2
InChIKeyIHSFYTIVZZRNSY-UHFFFAOYSA-N
XLogP2.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.80
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

2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol
CID 171217385
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
CID 171199182
2-(1-amino-2-cyclopropylethyl)benzene-1,3-diol
CID 130061799
2-[(R)-amino(cyclopropyl)methyl]-4-iodophenol
CID 131218158
4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride
CID 171200749
3-[(1S)-1-amino-2-cyclopropylethyl]-2-ethylphenol
CID 165346025
(2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid
CID 130632401
2-[(1R)-1-amino-2-cyclopropylethyl]benzene-1,3,5-triol;hydrochloride
CID 171217038
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-iodophenol
CID 66512553
2-[(1S)-1-amino-2-cyclopropylethyl]-4-fluoroaniline
CID 130820768
2-cyclopropyl-1-(2-iodo-3-methylphenyl)ethanamine
CID 103845963

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-cyclopropylethyl)-5-iodophenol?
The IUPAC name of 2-(1-amino-2-cyclopropylethyl)-5-iodophenol (CID 130062553) is 2-(1-amino-2-cyclopropylethyl)-5-iodophenol.
What is the SMILES notation for 2-(1-amino-2-cyclopropylethyl)-5-iodophenol?
The canonical SMILES for 2-(1-amino-2-cyclopropylethyl)-5-iodophenol is NC(CC1CC1)c1ccc(I)cc1O.
What is the InChIKey of 2-(1-amino-2-cyclopropylethyl)-5-iodophenol?
The InChIKey is IHSFYTIVZZRNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO/c12-8-3-4-9(11(14)6-8)10(13)5-7-1-2-7/h3-4,6-7,10,14H,1-2,5,13H2.
What are the key properties of 2-(1-amino-2-cyclopropylethyl)-5-iodophenol?
2-(1-amino-2-cyclopropylethyl)-5-iodophenol has a molecular weight of 303.14 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-cyclopropylethyl)-5-iodophenol is sourced from PubChem (CID 130062553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).