1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine

C12H18BrNO — CID 115712391

IUPAC1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine
SMILESCC(NCC1CCCC1)c1occc1Br
InChIInChI=1S/C12H18BrNO/c1-9(12-11(13)6-7-15-12)14-8-10-4-2-3-5-10/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyQYNJBYTZAKMQOY-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.88
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine

1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine (PubChem CID 115712391) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine
PubChem CID115712391
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine
SMILESCC(NCC1CCCC1)c1occc1Br
InChIInChI=1S/C12H18BrNO/c1-9(12-11(13)6-7-15-12)14-8-10-4-2-3-5-10/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyQYNJBYTZAKMQOY-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 115708188
N-[1-(3-bromofuran-2-yl)ethyl]-2-methylpropan-1-amine
CID 115704758
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
(1R)-1-(2-bromophenyl)-N-(cyclohexylmethyl)ethanamine
CID 81383462
N-(cyclopentylmethyl)-1-(2,4-dibromophenyl)ethanamine
CID 60781569
[1-(3-bromofuran-2-yl)-2-cyclopropylpropyl]hydrazine
CID 105309088
1-N-[1-(3-bromofuran-2-yl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717044
1-(3-bromofuran-2-yl)-2-cycloheptylethanamine
CID 115861686
N-[(3-bromofuran-2-yl)-cyclohexylmethyl]ethanamine
CID 63942248
1-(3-bromofuran-2-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 115709548
N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine
CID 115710275
1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine
CID 115727604

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine?
The IUPAC name of 1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine (CID 115712391) is 1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine?
The canonical SMILES for 1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine is CC(NCC1CCCC1)c1occc1Br.
What is the InChIKey of 1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine?
The InChIKey is QYNJBYTZAKMQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-9(12-11(13)6-7-15-12)14-8-10-4-2-3-5-10/h6-7,9-10,14H,2-5,8H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine?
1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine has a molecular weight of 272.19 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine is sourced from PubChem (CID 115712391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).