1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine

C11H14BrNO — CID 165461235

IUPAC1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine
SMILESCC(N)C1COc2ccc(Br)cc2C1
InChIInChI=1S/C11H14BrNO/c1-7(13)9-4-8-5-10(12)2-3-11(8)14-6-9/h2-3,5,7,9H,4,6,13H2,1H3
InChIKeyKSAUAOKYQBDVGM-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.35
Rot. Bonds1

About 1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine

1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine (PubChem CID 165461235) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine.

Molecular Properties

Compound Name1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine
PubChem CID165461235
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine
SMILESCC(N)C1COc2ccc(Br)cc2C1
InChIInChI=1S/C11H14BrNO/c1-7(13)9-4-8-5-10(12)2-3-11(8)14-6-9/h2-3,5,7,9H,4,6,13H2,1H3
InChIKeyKSAUAOKYQBDVGM-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(6-chloro-7-methyl-3,4-dihydro-2H-chromen-3-yl)ethanamine
CID 165453529
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)ethanol
CID 117200868
N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-propan-2-ylbenzenesulfonamide
CID 53210064
2-(6-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid
CID 105478918
(7-bromo-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)methanamine
CID 82380662
5-bromo-2,3-dihydro-1-benzofuran-2-carboxamide
CID 130734966
N-[(3S)-6-bromo-3,4-dihydro-2H-chromen-3-yl]-4-(2-methylpropyl)benzenesulfonamide
CID 95117238
3-(4-bromophenyl)-6-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 166773484
3-butan-2-yl-6-methoxy-3,4-dihydro-2H-chromene
CID 144757857
1-(5-bromo-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
CID 117201898

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine?
The IUPAC name of 1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine (CID 165461235) is 1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine.
What is the SMILES notation for 1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine?
The canonical SMILES for 1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine is CC(N)C1COc2ccc(Br)cc2C1.
What is the InChIKey of 1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine?
The InChIKey is KSAUAOKYQBDVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-7(13)9-4-8-5-10(12)2-3-11(8)14-6-9/h2-3,5,7,9H,4,6,13H2,1H3.
What are the key properties of 1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine?
1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine has a molecular weight of 256.14 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3,4-dihydro-2H-chromen-3-yl)ethanamine is sourced from PubChem (CID 165461235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).