(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine

C10H12BrNO — CID 103693936

IUPAC(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(Br)c2c1OCC[C@@H]2N
InChIInChI=1S/C10H12BrNO/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8H,4-5,12H2,1H3/t8-/m0/s1
InChIKeyZJPKVGJOFWAAKQ-QMMMGPOBSA-N
MW242.12 g/mol
LogP2.54
Rot. Bonds

About (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine

(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103693936) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID103693936
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(Br)c2c1OCC[C@@H]2N
InChIInChI=1S/C10H12BrNO/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8H,4-5,12H2,1H3/t8-/m0/s1
InChIKeyZJPKVGJOFWAAKQ-QMMMGPOBSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine (CID 103693936) is (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(Br)c2c1OCC[C@@H]2N.
What is the InChIKey of (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZJPKVGJOFWAAKQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-6-2-3-7(11)9-8(12)4-5-13-10(6)9/h2-3,8H,4-5,12H2,1H3/t8-/m0/s1.
What are the key properties of (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 242.12 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103693936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).