5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine

C14H20BrNO — CID 107320375

IUPAC5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
SMILESBrCCCCCNCC1COc2ccccc21
InChIInChI=1S/C14H20BrNO/c15-8-4-1-5-9-16-10-12-11-17-14-7-3-2-6-13(12)14/h2-3,6-7,12,16H,1,4-5,8-11H2
InChIKeyQPEFRRCAFVEYIA-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.32
Rot. Bonds7

About 5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine

5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine (PubChem CID 107320375) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
PubChem CID107320375
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine
SMILESBrCCCCCNCC1COc2ccccc21
InChIInChI=1S/C14H20BrNO/c15-8-4-1-5-9-16-10-12-11-17-14-7-3-2-6-13(12)14/h2-3,6-7,12,16H,1,4-5,8-11H2
InChIKeyQPEFRRCAFVEYIA-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-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

4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-amine
CID 106844833
6-chloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)hexan-1-amine
CID 114008270
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)propane-1,3-diamine
CID 79226752
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-dimethylbutane-1,4-diamine
CID 79227145
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-methoxybutan-1-amine
CID 79227067
2-(2,3-dihydro-1-benzofuran-3-ylmethylamino)ethanol
CID 79226581
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 79226973
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 79226994
N'-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405504
4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79229528
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanamine
CID 79218793

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine (CID 107320375) is 5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine is BrCCCCCNCC1COc2ccccc21.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine?
The InChIKey is QPEFRRCAFVEYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c15-8-4-1-5-9-16-10-12-11-17-14-7-3-2-6-13(12)14/h2-3,6-7,12,16H,1,4-5,8-11H2.
What are the key properties of 5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine?
5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)pentan-1-amine is sourced from PubChem (CID 107320375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).