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

C11H16BrNO — CID 115861247

IUPAC(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
SMILESCC1(C(N)c2occc2Br)CCCC1
InChIInChI=1S/C11H16BrNO/c1-11(5-2-3-6-11)10(13)9-8(12)4-7-14-9/h4,7,10H,2-3,5-6,13H2,1H3
InChIKeyCIMJUHHUZNXATL-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.62
Rot. Bonds2

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

(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine (PubChem CID 115861247) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
PubChem CID115861247
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine
SMILESCC1(C(N)c2occc2Br)CCCC1
InChIInChI=1S/C11H16BrNO/c1-11(5-2-3-6-11)10(13)9-8(12)4-7-14-9/h4,7,10H,2-3,5-6,13H2,1H3
InChIKeyCIMJUHHUZNXATL-UHFFFAOYSA-N
XLogP3.62
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[amino-(3-bromofuran-2-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066055
(3-bromofuran-2-yl)-(1-ethylcyclopentyl)methanamine
CID 115861563
1-(3-bromofuran-2-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830126
1-[(3-bromofuran-2-yl)-(methylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79070216
1-[(3-bromofuran-2-yl)-hydroxymethyl]cyclohexan-1-ol
CID 103451748
1-[(3-bromofuran-2-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452084
(4-bromothiophen-3-yl)-(1-methylcyclohexyl)methanamine
CID 106830353
2-(3-bromofuran-2-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 106885736
[1-(aminomethyl)cyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889639
(2,5-dibromophenyl)-(1-methylcyclohexyl)methanamine
CID 106826771
(3-bromofuran-2-yl)-(3-oxabicyclo[3.1.0]hexan-1-yl)methanamine
CID 164659597
1-(3-bromofuran-2-yl)-N-methyl-1-(1-phenylcyclopentyl)methanamine
CID 63943240

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine?
The IUPAC name of (3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine (CID 115861247) is (3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine?
The canonical SMILES for (3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine is CC1(C(N)c2occc2Br)CCCC1.
What is the InChIKey of (3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine?
The InChIKey is CIMJUHHUZNXATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c1-11(5-2-3-6-11)10(13)9-8(12)4-7-14-9/h4,7,10H,2-3,5-6,13H2,1H3.
What are the key properties of (3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine?
(3-bromofuran-2-yl)-(1-methylcyclopentyl)methanamine has a molecular weight of 258.16 g/mol, XLogP of 3.62, 2 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-methylcyclopentyl)methanamine is sourced from PubChem (CID 115861247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).