N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine

C18H19NO — CID 54772514

IUPACN-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine
SMILESC1=CC2CC1C(NCc1ccccc1)C2c1ccco1
InChIInChI=1S/C18H19NO/c1-2-5-13(6-3-1)12-19-18-15-9-8-14(11-15)17(18)16-7-4-10-20-16/h1-10,14-15,17-19H,11-12H2
InChIKeySSCLEVYXLIJNCX-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.73
Rot. Bonds4

About N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine

N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine (PubChem CID 54772514) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine.

Molecular Properties

Compound NameN-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine
PubChem CID54772514
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC NameN-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine
SMILESC1=CC2CC1C(NCc1ccccc1)C2c1ccco1
InChIInChI=1S/C18H19NO/c1-2-5-13(6-3-1)12-19-18-15-9-8-14(11-15)17(18)16-7-4-10-20-16/h1-10,14-15,17-19H,11-12H2
InChIKeySSCLEVYXLIJNCX-UHFFFAOYSA-N
XLogP3.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,3R,4R)-3-(furan-2-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 102059336
3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 54772496
3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbaldehyde
CID 72796024
(1R,2R,3S,4S)-3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 11961766
3-(furan-2-yl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 73154357
(2R,4S,6R)-2-(furan-2-yl)-6-phenyloxan-4-ol
CID 44519098
2-(benzylamino)cyclopentane-1,3-diol
CID 57123230
(1R,2R,3R,4S,5S)-5-(furan-2-yl)-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 11092097
(1S,2S,3R,5S)-2-(benzylamino)-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 67232275
(1R,2R,3R,5R)-2-(benzylamino)-6,6-dimethylbicyclo[3.1.1]heptane-3-carboxylic acid
CID 68529482
N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 67924201
(1S,2S,6R,7S)-4-(furan-2-ylmethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 20575713

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine?
The IUPAC name of N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine (CID 54772514) is N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine.
What is the SMILES notation for N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine?
The canonical SMILES for N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine is C1=CC2CC1C(NCc1ccccc1)C2c1ccco1.
What is the InChIKey of N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine?
The InChIKey is SSCLEVYXLIJNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-2-5-13(6-3-1)12-19-18-15-9-8-14(11-15)17(18)16-7-4-10-20-16/h1-10,14-15,17-19H,11-12H2.
What are the key properties of N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine?
N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(furan-2-yl)bicyclo[2.2.1]hept-5-en-2-amine is sourced from PubChem (CID 54772514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).