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

C11H14BrNO — CID 130673857

IUPAC(4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1ccc(Br)c2c1OCC[C@@H]2N
InChIInChI=1S/C11H14BrNO/c1-2-7-3-4-8(12)10-9(13)5-6-14-11(7)10/h3-4,9H,2,5-6,13H2,1H3/t9-/m0/s1
InChIKeyMSCUQTAQGWCGTH-VIFPVBQESA-N
MW256.14 g/mol
LogP2.79
Rot. Bonds1

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

(4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 130673857) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID130673857
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine
SMILESCCc1ccc(Br)c2c1OCC[C@@H]2N
InChIInChI=1S/C11H14BrNO/c1-2-7-3-4-8(12)10-9(13)5-6-14-11(7)10/h3-4,9H,2,5-6,13H2,1H3/t9-/m0/s1
InChIKeyMSCUQTAQGWCGTH-VIFPVBQESA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine
CID 131081672
(4R)-5,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 130667179
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103693936
(4R)-5-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252428
(3R)-7-bromo-4-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 130741328
(4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130615757
(4S)-8-bromo-5-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 79022059
(1R)-5-bromo-8-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130985321
(4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol
CID 130044464
5,8-dibromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 79416481
(4S)-8-ethyl-7-iodo-3,4-dihydro-2H-chromen-4-amine
CID 130609322
(4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252194

Frequently Asked Questions

What is the IUPAC name of (4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine (CID 130673857) is (4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine is CCc1ccc(Br)c2c1OCC[C@@H]2N.
What is the InChIKey of (4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is MSCUQTAQGWCGTH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-7-3-4-8(12)10-9(13)5-6-14-11(7)10/h3-4,9H,2,5-6,13H2,1H3/t9-/m0/s1.
What are the key properties of (4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 256.14 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 130673857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).