6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine

C16H17BrN2O — CID 60914256

IUPAC6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1ccc2c(c1)C(NCCc1cccnc1)CCO2
InChIInChI=1S/C16H17BrN2O/c17-13-3-4-16-14(10-13)15(6-9-20-16)19-8-5-12-2-1-7-18-11-12/h1-4,7,10-11,15,19H,5-6,8-9H2
InChIKeyBDFSHKITZKJLOL-UHFFFAOYSA-N
MW333.23 g/mol
LogP3.50
Rot. Bonds4

About 6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 60914256) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID60914256
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1ccc2c(c1)C(NCCc1cccnc1)CCO2
InChIInChI=1S/C16H17BrN2O/c17-13-3-4-16-14(10-13)15(6-9-20-16)19-8-5-12-2-1-7-18-11-12/h1-4,7,10-11,15,19H,5-6,8-9H2
InChIKeyBDFSHKITZKJLOL-UHFFFAOYSA-N
XLogP3.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-N-(2-pyridin-3-ylethyl)-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-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-methyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461441
6-bromo-N-[(1R)-1-pyridin-3-ylethyl]-3,4-dihydro-2H-chromen-4-amine
CID 81407322
6-bromo-N-(3-pyrazol-1-ylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 115708570
6-bromo-N-(2-cyclohexylethyl)-3,4-dihydro-2H-chromen-4-amine
CID 63450747
6-bromo-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-chromen-4-amine
CID 115890026
6,7-dimethyl-N-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82461557
6-bromo-N-(2,2-difluoroethyl)-3,4-dihydro-2H-chromen-4-amine
CID 115405791
6-bromo-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43769329
3-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-N,N-dimethylpropanamide
CID 54935296
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787725

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine (CID 60914256) is 6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine is Brc1ccc2c(c1)C(NCCc1cccnc1)CCO2.
What is the InChIKey of 6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BDFSHKITZKJLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c17-13-3-4-16-14(10-13)15(6-9-20-16)19-8-5-12-2-1-7-18-11-12/h1-4,7,10-11,15,19H,5-6,8-9H2.
What are the key properties of 6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 333.23 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-pyridin-3-ylethyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 60914256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).