2-(iodoamino)-2-naphthalen-1-ylethanol

C12H12INO — CID 88639015

IUPAC2-(iodoamino)-2-naphthalen-1-ylethanol
SMILESOCC(NI)c1cccc2ccccc12
InChIInChI=1S/C12H12INO/c13-14-12(8-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14-15H,8H2
InChIKeyIOYVWIJHFMYEAY-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.81
Rot. Bonds3

About 2-(iodoamino)-2-naphthalen-1-ylethanol

2-(iodoamino)-2-naphthalen-1-ylethanol (PubChem CID 88639015) has the molecular formula C12H12INO and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-(iodoamino)-2-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-(iodoamino)-2-naphthalen-1-ylethanol
PubChem CID88639015
Molecular FormulaC12H12INO
Molecular Weight313.14 g/mol
Exact Mass313.00
IUPAC Name2-(iodoamino)-2-naphthalen-1-ylethanol
SMILESOCC(NI)c1cccc2ccccc12
InChIInChI=1S/C12H12INO/c13-14-12(8-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14-15H,8H2
InChIKeyIOYVWIJHFMYEAY-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-hydroxy-1-naphthalen-1-ylethyl)oxamide
CID 23140892
2-(2-methylanilino)-2-naphthalen-1-ylethanol
CID 61047528
2-(cyclohexylamino)-2-naphthalen-1-ylethanol
CID 61047481
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-naphthalen-1-yl-2-(thiophen-2-ylmethylamino)ethanol
CID 61054191
3,3,3-trideuterio-2-naphthalen-1-ylpropan-1-ol
CID 169444620
2-methyl-3-[2-(methylamino)-2-naphthalen-1-ylethyl]sulfanylpropan-1-ol
CID 66102804
2,2-dichloro-1-naphthalen-1-ylethanol
CID 164892097
(2S)-3-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 132595061
N-methyl-1-naphthalen-1-ylethane-1,2-diamine
CID 14340342
2-[(1-naphthalen-1-yl-2-phenylethyl)amino]ethanol;hydrochloride
CID 54608356
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548

Frequently Asked Questions

What is the IUPAC name of 2-(iodoamino)-2-naphthalen-1-ylethanol?
The IUPAC name of 2-(iodoamino)-2-naphthalen-1-ylethanol (CID 88639015) is 2-(iodoamino)-2-naphthalen-1-ylethanol.
What is the SMILES notation for 2-(iodoamino)-2-naphthalen-1-ylethanol?
The canonical SMILES for 2-(iodoamino)-2-naphthalen-1-ylethanol is OCC(NI)c1cccc2ccccc12.
What is the InChIKey of 2-(iodoamino)-2-naphthalen-1-ylethanol?
The InChIKey is IOYVWIJHFMYEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO/c13-14-12(8-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12,14-15H,8H2.
What are the key properties of 2-(iodoamino)-2-naphthalen-1-ylethanol?
2-(iodoamino)-2-naphthalen-1-ylethanol has a molecular weight of 313.14 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodoamino)-2-naphthalen-1-ylethanol is sourced from PubChem (CID 88639015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).