(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine

C12H18BrNO — CID 115861563

IUPAC(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine
SMILESCCC1(C(N)c2occc2Br)CCCC1
InChIInChI=1S/C12H18BrNO/c1-2-12(6-3-4-7-12)11(14)10-9(13)5-8-15-10/h5,8,11H,2-4,6-7,14H2,1H3
InChIKeyNVRKKHLSBXUXRK-UHFFFAOYSA-N
MW272.19 g/mol
LogP4.01
Rot. Bonds3

About (3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine

(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine (PubChem CID 115861563) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine
PubChem CID115861563
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine
SMILESCCC1(C(N)c2occc2Br)CCCC1
InChIInChI=1S/C12H18BrNO/c1-2-12(6-3-4-7-12)11(14)10-9(13)5-8-15-10/h5,8,11H,2-4,6-7,14H2,1H3
InChIKeyNVRKKHLSBXUXRK-UHFFFAOYSA-N
XLogP4.01
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine 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

(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
CID 115861247
1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066055
[1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889639
1-[(3-bromofuran-2-yl)-hydroxymethyl]cyclohexan-1-ol
CID 103451748
1-(3-bromofuran-2-yl)hexan-1-amine
CID 115861654
1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452084
[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889658
1-[(3-bromofuran-2-yl)-(ethylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79065998
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
CID 102828032
[1-(aminomethyl)cyclopropyl]-(3-bromofuran-2-yl)methanol
CID 130513437
1-(3-bromofuran-2-yl)-2-methylsulfanylethanamine
CID 63942655
1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830126

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine (CID 115861563) is (3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine is CCC1(C(N)c2occc2Br)CCCC1.
What is the InChIKey of (3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine?
The InChIKey is NVRKKHLSBXUXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-2-12(6-3-4-7-12)11(14)10-9(13)5-8-15-10/h5,8,11H,2-4,6-7,14H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine?
(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine has a molecular weight of 272.19 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine is sourced from PubChem (CID 115861563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).