(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine

C9H10INO — CID 163411426

IUPAC(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
SMILESIN[C@@H]1CCOc2ccccc21
InChIInChI=1S/C9H10INO/c10-11-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,8,11H,5-6H2/t8-/m1/s1
InChIKeyAAVBWKNFELKHCN-MRVPVSSYSA-N
MW275.09 g/mol
LogP2.45
Rot. Bonds1

About (4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine

(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine (PubChem CID 163411426) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is (4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
PubChem CID163411426
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC Name(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
SMILESIN[C@@H]1CCOc2ccccc21
InChIInChI=1S/C9H10INO/c10-11-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,8,11H,5-6H2/t8-/m1/s1
InChIKeyAAVBWKNFELKHCN-MRVPVSSYSA-N
XLogP2.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.45
H-Bond Donors ≤ 51
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

ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
(4S)-4-iodo-3,4-dihydro-2H-chromene
CID 146562180
(4S)-N-ethenyl-3,4-dihydro-2H-chromen-4-amine
CID 156742889
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43190759
N-[cyclopropyl(phenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 43724272
N-benzhydryloxy-3,4-dihydro-2H-chromen-4-amine
CID 102402072
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79101117
N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 103903513
(2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)-2-phenylethanol
CID 103788750

Frequently Asked Questions

What is the IUPAC name of (4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine (CID 163411426) is (4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine is IN[C@@H]1CCOc2ccccc21.
What is the InChIKey of (4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AAVBWKNFELKHCN-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10INO/c10-11-8-5-6-12-9-4-2-1-3-7(8)9/h1-4,8,11H,5-6H2/t8-/m1/s1.
What are the key properties of (4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine?
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 275.09 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 163411426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).