N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine

C12H18BrNO — CID 60732893

IUPACN-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine
SMILESBrc1ccc(CNCCC2CCCC2)o1
InChIInChI=1S/C12H18BrNO/c13-12-6-5-11(15-12)9-14-8-7-10-3-1-2-4-10/h5-6,10,14H,1-4,7-9H2
InChIKeyGYTNGYXADCTUAH-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.71
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine

N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine (PubChem CID 60732893) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine
PubChem CID60732893
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine
SMILESBrc1ccc(CNCCC2CCCC2)o1
InChIInChI=1S/C12H18BrNO/c13-12-6-5-11(15-12)9-14-8-7-10-3-1-2-4-10/h5-6,10,14H,1-4,7-9H2
InChIKeyGYTNGYXADCTUAH-UHFFFAOYSA-N
XLogP3.71
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
CID 43215825
3-cyclopentyl-N-[(5-ethylfuran-2-yl)methyl]propan-1-amine
CID 114136736
N-(1-benzofuran-2-ylmethyl)-2-cyclohexylethanamine
CID 63448343
N-[(5-bromofuran-2-yl)methyl]-N'-tert-butylpropane-1,3-diamine
CID 115572727
5-bromo-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 55028748
N-[(5-bromofuran-2-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 103527237
1-[[(5-bromofuran-2-yl)methylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65116857
N-[(5-bromofuran-2-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856141
5-[(2-cyclopentylethylamino)methyl]-3-methylfuran-2-carboxylic acid
CID 103240042
2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol
CID 99834074
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
CID 63476288

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine (CID 60732893) is N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine is Brc1ccc(CNCCC2CCCC2)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine?
The InChIKey is GYTNGYXADCTUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c13-12-6-5-11(15-12)9-14-8-7-10-3-1-2-4-10/h5-6,10,14H,1-4,7-9H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine?
N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine has a molecular weight of 272.19 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine is sourced from PubChem (CID 60732893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).