N-[(3-bromofuran-2-yl)methyl]cyclohexanamine

C11H16BrNO — CID 103675127

IUPACN-[(3-bromofuran-2-yl)methyl]cyclohexanamine
SMILESBrc1ccoc1CNC1CCCCC1
InChIInChI=1S/C11H16BrNO/c12-10-6-7-14-11(10)8-13-9-4-2-1-3-5-9/h6-7,9,13H,1-5,8H2
InChIKeyQRSOJCXFVZHDLP-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.46
Rot. Bonds3

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

N-[(3-bromofuran-2-yl)methyl]cyclohexanamine (PubChem CID 103675127) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]cyclohexanamine
PubChem CID103675127
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC NameN-[(3-bromofuran-2-yl)methyl]cyclohexanamine
SMILESBrc1ccoc1CNC1CCCCC1
InChIInChI=1S/C11H16BrNO/c12-10-6-7-14-11(10)8-13-9-4-2-1-3-5-9/h6-7,9,13H,1-5,8H2
InChIKeyQRSOJCXFVZHDLP-UHFFFAOYSA-N
XLogP3.46
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]cyclohexanamine (CID 103675127) is N-[(3-bromofuran-2-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]cyclohexanamine is Brc1ccoc1CNC1CCCCC1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]cyclohexanamine?
The InChIKey is QRSOJCXFVZHDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c12-10-6-7-14-11(10)8-13-9-4-2-1-3-5-9/h6-7,9,13H,1-5,8H2.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]cyclohexanamine?
N-[(3-bromofuran-2-yl)methyl]cyclohexanamine has a molecular weight of 258.16 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]cyclohexanamine is sourced from PubChem (CID 103675127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).