(4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine

C14H14BrNOS — CID 104946500

IUPAC(4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC(c1ccc(Br)s1)O2
InChIInChI=1S/C14H14BrNOS/c1-8-2-3-11-9(6-8)10(16)7-12(17-11)13-4-5-14(15)18-13/h2-6,10,12H,7,16H2,1H3/t10-,12?/m0/s1
InChIKeyYCRHYYAQRHPSRW-NUHJPDEHSA-N
MW324.24 g/mol
LogP4.34
Rot. Bonds1

About (4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946500) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is (4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946500
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name(4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)[C@@H](N)CC(c1ccc(Br)s1)O2
InChIInChI=1S/C14H14BrNOS/c1-8-2-3-11-9(6-8)10(16)7-12(17-11)13-4-5-14(15)18-13/h2-6,10,12H,7,16H2,1H3/t10-,12?/m0/s1
InChIKeyYCRHYYAQRHPSRW-NUHJPDEHSA-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

(4R)-7-bromo-2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945569
2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709766
(4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947998
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448
2-(4-bromo-3-methylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709587
(4S)-2-(4-bromo-2-chlorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946460
(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946698
(4R)-2-(2,6-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946645
2-(4-bromo-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709782
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709598
(4R)-2-(4,5-dibromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 102846013

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 104946500) is (4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)[C@@H](N)CC(c1ccc(Br)s1)O2.
What is the InChIKey of (4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is YCRHYYAQRHPSRW-NUHJPDEHSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-8-2-3-11-9(6-8)10(16)7-12(17-11)13-4-5-14(15)18-13/h2-6,10,12H,7,16H2,1H3/t10-,12?/m0/s1.
What are the key properties of (4S)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(5-bromothiophen-2-yl)-6-methyl-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)-2-(5-bromothiophen-2-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).