6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

C14H14BrNOS — CID 43769329

IUPAC6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1ccc2c(c1)C(NCc1cccs1)CCO2
InChIInChI=1S/C14H14BrNOS/c15-10-3-4-14-12(8-10)13(5-6-17-14)16-9-11-2-1-7-18-11/h1-4,7-8,13,16H,5-6,9H2
InChIKeyVYIRFRNKJDMPLI-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.12
Rot. Bonds3

About 6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43769329) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43769329
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1ccc2c(c1)C(NCc1cccs1)CCO2
InChIInChI=1S/C14H14BrNOS/c15-10-3-4-14-12(8-10)13(5-6-17-14)16-9-11-2-1-7-18-11/h1-4,7-8,13,16H,5-6,9H2
InChIKeyVYIRFRNKJDMPLI-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
6-bromo-N-[(5-bromothiophen-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 54900398
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-bromo-N-(pyridazin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106895049
6-bromo-N-[(5-methylfuran-2-yl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 47624108
6-bromo-N-prop-2-enyl-3,4-dihydro-2H-chromen-4-amine
CID 43755416
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
6-bromo-N-[(3-methyl-2-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 63305839
6-bromo-N-(2-methylsulfonylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 54932496
8-bromo-N-(2-thiophen-2-ylethyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43763636
6-bromo-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-chromen-4-amine
CID 115890026
6,8-dichloro-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769334

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine (CID 43769329) is 6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is Brc1ccc2c(c1)C(NCc1cccs1)CCO2.
What is the InChIKey of 6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is VYIRFRNKJDMPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c15-10-3-4-14-12(8-10)13(5-6-17-14)16-9-11-2-1-7-18-11/h1-4,7-8,13,16H,5-6,9H2.
What are the key properties of 6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 324.24 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43769329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).