N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C12H16BrNO — CID 130636961

IUPACN-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESBrc1cc(CNC2CC3CCC2C3)co1
InChIInChI=1S/C12H16BrNO/c13-12-5-9(7-15-12)6-14-11-4-8-1-2-10(11)3-8/h5,7-8,10-11,14H,1-4,6H2
InChIKeyQUAJQMBFLSWXJZ-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.32
Rot. Bonds3

About N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine

N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 130636961) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID130636961
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC NameN-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESBrc1cc(CNC2CC3CCC2C3)co1
InChIInChI=1S/C12H16BrNO/c13-12-5-9(7-15-12)6-14-11-4-8-1-2-10(11)3-8/h5,7-8,10-11,14H,1-4,6H2
InChIKeyQUAJQMBFLSWXJZ-UHFFFAOYSA-N
XLogP3.32
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 105401525
N-[(5-bromofuran-3-yl)methyl]oxolan-3-amine
CID 130962059
N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine
CID 131042732
N-[(3,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 23736358
N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408115
4-[(2-bicyclo[2.2.1]heptanylamino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77045520
2-[(2-bicyclo[2.2.1]heptanylamino)methyl]cyclohexa-2,4-dien-1-one
CID 70558760
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]bicyclo[2.2.1]heptan-2-amine
CID 61309951
(1R,4S)-N-[[2-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]bicyclo[2.2.1]heptan-2-amine
CID 56665399
2-[4-[(2-bicyclo[2.2.1]heptanylamino)methyl]phenyl]propanoic acid
CID 103254735
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
N-[(5-fluoro-2-methylphenyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115968191

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 130636961) is N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine is Brc1cc(CNC2CC3CCC2C3)co1.
What is the InChIKey of N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is QUAJQMBFLSWXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-12-5-9(7-15-12)6-14-11-4-8-1-2-10(11)3-8/h5,7-8,10-11,14H,1-4,6H2.
What are the key properties of N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 270.17 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-3-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 130636961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).