(1R)-1-(2-benzofuran-1-yl)ethanamine

C10H11NO — CID 96736222

IUPAC(1R)-1-(2-benzofuran-1-yl)ethanamine
SMILESC[C@@H](N)c1occ2ccccc12
InChIInChI=1S/C10H11NO/c1-7(11)10-9-5-3-2-4-8(9)6-12-10/h2-7H,11H2,1H3/t7-/m1/s1
InChIKeyIFRWNSKMXSSWNZ-SSDOTTSWSA-N
MW161.20 g/mol
LogP2.45
Rot. Bonds1

About (1R)-1-(2-benzofuran-1-yl)ethanamine

(1R)-1-(2-benzofuran-1-yl)ethanamine (PubChem CID 96736222) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (1R)-1-(2-benzofuran-1-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-benzofuran-1-yl)ethanamine
PubChem CID96736222
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(1R)-1-(2-benzofuran-1-yl)ethanamine
SMILESC[C@@H](N)c1occ2ccccc12
InChIInChI=1S/C10H11NO/c1-7(11)10-9-5-3-2-4-8(9)6-12-10/h2-7H,11H2,1H3/t7-/m1/s1
InChIKeyIFRWNSKMXSSWNZ-SSDOTTSWSA-N
XLogP2.45
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-benzofuran-1-yl)ethanamine?
The IUPAC name of (1R)-1-(2-benzofuran-1-yl)ethanamine (CID 96736222) is (1R)-1-(2-benzofuran-1-yl)ethanamine.
What is the SMILES notation for (1R)-1-(2-benzofuran-1-yl)ethanamine?
The canonical SMILES for (1R)-1-(2-benzofuran-1-yl)ethanamine is C[C@@H](N)c1occ2ccccc12.
What is the InChIKey of (1R)-1-(2-benzofuran-1-yl)ethanamine?
The InChIKey is IFRWNSKMXSSWNZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11NO/c1-7(11)10-9-5-3-2-4-8(9)6-12-10/h2-7H,11H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-(2-benzofuran-1-yl)ethanamine?
(1R)-1-(2-benzofuran-1-yl)ethanamine has a molecular weight of 161.20 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-benzofuran-1-yl)ethanamine is sourced from PubChem (CID 96736222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).