N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine

C12H18BrNO — CID 81032684

IUPACN-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1c1occc1Br
InChIInChI=1S/C12H18BrNO/c1-2-14-8-9-4-3-5-10(9)12-11(13)6-7-15-12/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyNGGYQKXTKOHNMQ-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.54
Rot. Bonds4

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

N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine (PubChem CID 81032684) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine
PubChem CID81032684
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC NameN-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1c1occc1Br
InChIInChI=1S/C12H18BrNO/c1-2-14-8-9-4-3-5-10(9)12-11(13)6-7-15-12/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyNGGYQKXTKOHNMQ-UHFFFAOYSA-N
XLogP3.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine (CID 81032684) is N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine is CCNCC1CCCC1c1occc1Br.
What is the InChIKey of N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine?
The InChIKey is NGGYQKXTKOHNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-2-14-8-9-4-3-5-10(9)12-11(13)6-7-15-12/h6-7,9-10,14H,2-5,8H2,1H3.
What are the key properties of N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine?
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine has a molecular weight of 272.19 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 81032684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).