N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine

C11H16BrNO2 — CID 115710275

IUPACN-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine
SMILESCC(NC1CCOCC1)c1occc1Br
InChIInChI=1S/C11H16BrNO2/c1-8(11-10(12)4-7-15-11)13-9-2-5-14-6-3-9/h4,7-9,13H,2-3,5-6H2,1H3
InChIKeyNSZILYIAQRJYPC-UHFFFAOYSA-N
MW274.16 g/mol
LogP2.87
Rot. Bonds3

About N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine

N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine (PubChem CID 115710275) has the molecular formula C11H16BrNO2 and a molecular weight of 274.16 g/mol. Its IUPAC name is N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine
PubChem CID115710275
Molecular FormulaC11H16BrNO2
Molecular Weight274.16 g/mol
Exact Mass273.04
IUPAC NameN-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine
SMILESCC(NC1CCOCC1)c1occc1Br
InChIInChI=1S/C11H16BrNO2/c1-8(11-10(12)4-7-15-11)13-9-2-5-14-6-3-9/h4,7-9,13H,2-3,5-6H2,1H3
InChIKeyNSZILYIAQRJYPC-UHFFFAOYSA-N
XLogP2.87
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-bromofuran-2-yl)ethyl]cycloheptanamine
CID 115705100
N-[(1R)-1-(2-bromophenyl)ethyl]oxan-4-amine
CID 81379308
N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
4-[1-(oxan-4-ylamino)ethyl]phenol
CID 43609894
1-(3-bromofuran-2-yl)-2-(oxan-4-yl)ethanol
CID 106886280
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine
CID 65081524
N-(1-phenylethyl)oxan-4-amine
CID 43608319
1-(3-bromofuran-2-yl)-N-(cyclopentylmethyl)ethanamine
CID 115712391
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
[1-(3-bromofuran-2-yl)-2-cyclopropylpropyl]hydrazine
CID 105309088
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
1-(3-bromofuran-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 115708188

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine (CID 115710275) is N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine is CC(NC1CCOCC1)c1occc1Br.
What is the InChIKey of N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine?
The InChIKey is NSZILYIAQRJYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2/c1-8(11-10(12)4-7-15-11)13-9-2-5-14-6-3-9/h4,7-9,13H,2-3,5-6H2,1H3.
What are the key properties of N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine?
N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine has a molecular weight of 274.16 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromofuran-2-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 115710275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).