N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine

C19H27NO — CID 63021630

IUPACN-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)COC2)C1CC2CCC1C2
InChIInChI=1S/C19H27NO/c1-2-7-20-19(18-9-13-3-4-14(18)8-13)15-5-6-16-11-21-12-17(16)10-15/h5-6,10,13-14,18-20H,2-4,7-9,11-12H2,1H3
InChIKeyGFZVNYSEWXIZNF-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.19
Rot. Bonds5

About N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine

N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine (PubChem CID 63021630) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
PubChem CID63021630
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)COC2)C1CC2CCC1C2
InChIInChI=1S/C19H27NO/c1-2-7-20-19(18-9-13-3-4-14(18)8-13)15-5-6-16-11-21-12-17(16)10-15/h5-6,10,13-14,18-20H,2-4,7-9,11-12H2,1H3
InChIKeyGFZVNYSEWXIZNF-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine with MolForge

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Related Compounds

N-[1,3-dihydro-2-benzofuran-5-yl-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107177806
N-[2-bicyclo[2.2.1]heptanyl-(2,5-dimethylfuran-3-yl)methyl]propan-1-amine
CID 63503991
N-[2-bicyclo[2.2.1]heptanyl-(5-ethylthiophen-2-yl)methyl]propan-1-amine
CID 63504191
N-[2-bicyclo[2.2.1]heptanyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63502670
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 63021290
N-[2-bicyclo[2.2.1]heptanyl-(3-bromophenyl)methyl]ethanamine
CID 114245867
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 63503340
1-(1,3-dihydro-2-benzofuran-5-yl)-4-methoxy-N-propylbutan-1-amine
CID 105055041
N-[2-bicyclo[2.2.1]heptanyl-(4-bromo-5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 102828861
1-(1,3-dihydro-2-benzofuran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518874
1-(2-bicyclo[2.2.1]heptanyl)-2-ethyl-N-propylbutan-1-amine
CID 113383565
N-[(4-bromothiophen-3-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 105010828

Frequently Asked Questions

What is the IUPAC name of N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine (CID 63021630) is N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)COC2)C1CC2CCC1C2.
What is the InChIKey of N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine?
The InChIKey is GFZVNYSEWXIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-7-20-19(18-9-13-3-4-14(18)8-13)15-5-6-16-11-21-12-17(16)10-15/h5-6,10,13-14,18-20H,2-4,7-9,11-12H2,1H3.
What are the key properties of N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine?
N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bicyclo[2.2.1]heptanyl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 63021630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).