N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine

C11H16BrNO — CID 106858770

IUPACN-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine
SMILESCCNC(c1ccoc1Br)C1CCC1
InChIInChI=1S/C11H16BrNO/c1-2-13-10(8-4-3-5-8)9-6-7-14-11(9)12/h6-8,10,13H,2-5H2,1H3
InChIKeyWHLXSSRBZPDMIP-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.49
Rot. Bonds4

About N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine

N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine (PubChem CID 106858770) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine
PubChem CID106858770
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC NameN-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine
SMILESCCNC(c1ccoc1Br)C1CCC1
InChIInChI=1S/C11H16BrNO/c1-2-13-10(8-4-3-5-8)9-6-7-14-11(9)12/h6-8,10,13H,2-5H2,1H3
InChIKeyWHLXSSRBZPDMIP-UHFFFAOYSA-N
XLogP3.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)-cyclohexylmethyl]ethanamine
CID 63942248
N-[(2-bromofuran-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]ethanamine
CID 106858272
N-[cyclobutyl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102832629
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 64986342
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine
CID 104805664
1-(2-bromofuran-3-yl)-N-ethylbutan-1-amine
CID 106856875
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
CID 64986462
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
CID 105027710
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethyl]ethanamine
CID 43492667
1-(2-bromofuran-3-yl)-N-ethyl-3-methylbutan-1-amine
CID 106856891

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine?
The IUPAC name of N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine (CID 106858770) is N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine.
What is the SMILES notation for N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine?
The canonical SMILES for N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine is CCNC(c1ccoc1Br)C1CCC1.
What is the InChIKey of N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine?
The InChIKey is WHLXSSRBZPDMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-2-13-10(8-4-3-5-8)9-6-7-14-11(9)12/h6-8,10,13H,2-5H2,1H3.
What are the key properties of N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine?
N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine has a molecular weight of 258.16 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine is sourced from PubChem (CID 106858770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).