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

C10H12BrNO2 — CID 130615757

IUPAC(4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc(Br)c2c1[C@@H](N)CCO2
InChIInChI=1S/C10H12BrNO2/c1-13-8-3-2-6(11)10-9(8)7(12)4-5-14-10/h2-3,7H,4-5,12H2,1H3/t7-/m0/s1
InChIKeyOUAVWBJNUTYYHB-ZETCQYMHSA-N
MW258.11 g/mol
LogP2.24
Rot. Bonds1

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

(4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 130615757) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is (4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID130615757
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name(4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCOc1ccc(Br)c2c1[C@@H](N)CCO2
InChIInChI=1S/C10H12BrNO2/c1-13-8-3-2-6(11)10-9(8)7(12)4-5-14-10/h2-3,7H,4-5,12H2,1H3/t7-/m0/s1
InChIKeyOUAVWBJNUTYYHB-ZETCQYMHSA-N
XLogP2.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130691735
(4R)-5,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 130667179
(4S)-4-amino-5-methoxy-3,4-dihydro-2H-chromen-8-ol
CID 130706327
5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 79416481
8-bromo-5-methoxy-3,4-dihydro-2H-chromene-4-carbonitrile
CID 135311631
(4S)-8-bromo-5-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 79022059
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103693936
(1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417509
(4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 130673857
(4S)-4-amino-6-methoxy-3,4-dihydro-2H-chromen-5-ol
CID 130642446
5-bromo-8-methoxy-3,4-dihydro-2H-chromene-4-carboxylic acid
CID 135311623
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937

Frequently Asked Questions

What is the IUPAC name of (4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 130615757) is (4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine is COc1ccc(Br)c2c1[C@@H](N)CCO2.
What is the InChIKey of (4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is OUAVWBJNUTYYHB-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-13-8-3-2-6(11)10-9(8)7(12)4-5-14-10/h2-3,7H,4-5,12H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 258.11 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 130615757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).