CID 146760748

C10H13INO2- — CID 146760748

IUPAC—
SMILESCNC(C)Cc1ccc2c(c1)O[I-]O2
InChIInChI=1S/C10H13INO2/c1-7(12-2)5-8-3-4-9-10(6-8)14-11-13-9/h3-4,6-7,12H,5H2,1-2H3/q-1
InChIKeyVYPSPBYRJRFYCL-UHFFFAOYSA-N
MW306.12 g/mol
LogP-1.47
Rot. Bonds3

About CID 146760748

CID 146760748 (PubChem CID 146760748) has the molecular formula C10H13INO2- and a molecular weight of 306.12 g/mol.

Molecular Properties

Compound NameCID 146760748
PubChem CID146760748
Molecular FormulaC10H13INO2-
Molecular Weight306.12 g/mol
Exact Mass306.00
IUPAC Name—
SMILESCNC(C)Cc1ccc2c(c1)O[I-]O2
InChIInChI=1S/C10H13INO2/c1-7(12-2)5-8-3-4-9-10(6-8)14-11-13-9/h3-4,6-7,12H,5H2,1-2H3/q-1
InChIKeyVYPSPBYRJRFYCL-UHFFFAOYSA-N
XLogP-1.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
CID 169149591
CID 169149591
(2S)-1-(2,3-dihydro-1,3-benzoxazol-6-yl)-N-methylpropan-2-amine
CID 170089150
N-methyl-1-phenylpropan-2-amine
CID 118309477
1-(1-benzofuran-6-yl)-N-methylpropan-2-amine;methanol
CID 168924242
1-(3-ethenyl-4-methoxyphenyl)-N-methylpropan-2-amine
CID 168924254
2-methoxy-5-[2-(methylamino)propyl]aniline
CID 82257468
1-(4-methoxy-3-methylphenyl)-N-methylpropan-2-amine;hydrobromide
CID 21150467
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine
CID 82262479
1-(4-fluoro-3-methoxyphenyl)-N-methylpropan-2-amine
CID 69036284
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
N-methyl-1-(1-methylindol-6-yl)propan-2-amine
CID 115106675

Frequently Asked Questions

What is the IUPAC name of CID 146760748?
The IUPAC name of CID 146760748 (CID 146760748) is not available.
What is the SMILES notation for CID 146760748?
The canonical SMILES for CID 146760748 is CNC(C)Cc1ccc2c(c1)O[I-]O2.
What is the InChIKey of CID 146760748?
The InChIKey is VYPSPBYRJRFYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13INO2/c1-7(12-2)5-8-3-4-9-10(6-8)14-11-13-9/h3-4,6-7,12H,5H2,1-2H3/q-1.
What are the key properties of CID 146760748?
CID 146760748 has a molecular weight of 306.12 g/mol, XLogP of -1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146760748 is sourced from PubChem (CID 146760748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).