(4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine

C14H14BrNOS — CID 104945595

IUPAC(4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccsc1C1C[C@H](N)c2ccc(Br)cc2O1
InChIInChI=1S/C14H14BrNOS/c1-8-4-5-18-14(8)13-7-11(16)10-3-2-9(15)6-12(10)17-13/h2-6,11,13H,7,16H2,1H3/t11-,13?/m0/s1
InChIKeyGNLBYRBEUVXCSQ-AMGKYWFPSA-N
MW324.24 g/mol
LogP4.34
Rot. Bonds1

About (4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine

(4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104945595) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is (4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104945595
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name(4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccsc1C1C[C@H](N)c2ccc(Br)cc2O1
InChIInChI=1S/C14H14BrNOS/c1-8-4-5-18-14(8)13-7-11(16)10-3-2-9(15)6-12(10)17-13/h2-6,11,13H,7,16H2,1H3/t11-,13?/m0/s1
InChIKeyGNLBYRBEUVXCSQ-AMGKYWFPSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-2-thiophen-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 114709140
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
(4R)-7-bromo-2-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945527
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
2-(1-benzothiophen-3-yl)-7-bromo-3,4-dihydro-2H-chromen-4-amine
CID 114709182
(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945420
(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945569
(4R)-7-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945558
(4R)-7-bromo-2-(4-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945365
(4S)-7-bromo-2-(2-ethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945625
7-bromo-2-(3-bromothiophen-2-yl)-N-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 114711788
(4R)-6-bromo-2-(2,3-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947376

Frequently Asked Questions

What is the IUPAC name of (4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 104945595) is (4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccsc1C1C[C@H](N)c2ccc(Br)cc2O1.
What is the InChIKey of (4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is GNLBYRBEUVXCSQ-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-8-4-5-18-14(8)13-7-11(16)10-3-2-9(15)6-12(10)17-13/h2-6,11,13H,7,16H2,1H3/t11-,13?/m0/s1.
What are the key properties of (4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine?
(4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 324.24 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-bromo-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104945595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).