N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine

C18H17NO — CID 29037427

IUPACN-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
SMILESc1ccc2oc(CNc3ccc4c(c3)CCC4)cc2c1
InChIInChI=1S/C18H17NO/c1-2-7-18-15(4-1)11-17(20-18)12-19-16-9-8-13-5-3-6-14(13)10-16/h1-2,4,7-11,19H,3,5-6,12H2
InChIKeyBMORZESBNXEMKO-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.53
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine

N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 29037427) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID29037427
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC NameN-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
SMILESc1ccc2oc(CNc3ccc4c(c3)CCC4)cc2c1
InChIInChI=1S/C18H17NO/c1-2-7-18-15(4-1)11-17(20-18)12-19-16-9-8-13-5-3-6-14(13)10-16/h1-2,4,7-11,19H,3,5-6,12H2
InChIKeyBMORZESBNXEMKO-UHFFFAOYSA-N
XLogP4.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine (CID 29037427) is N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine is c1ccc2oc(CNc3ccc4c(c3)CCC4)cc2c1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is BMORZESBNXEMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-2-7-18-15(4-1)11-17(20-18)12-19-16-9-8-13-5-3-6-14(13)10-16/h1-2,4,7-11,19H,3,5-6,12H2.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine?
N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 263.34 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 29037427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).