(1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine

C18H21NO2 — CID 29273095

IUPAC(1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2cccc3c2OC(C)(C)C3)cc1
InChIInChI=1S/C18H21NO2/c1-12(19)13-7-9-15(10-8-13)20-16-6-4-5-14-11-18(2,3)21-17(14)16/h4-10,12H,11,19H2,1-3H3/t12-/m1/s1
InChIKeyRGZPYDXQIXONIP-GFCCVEGCSA-N
MW283.37 g/mol
LogP4.21
Rot. Bonds3

About (1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine

(1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine (PubChem CID 29273095) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine
PubChem CID29273095
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine
SMILESC[C@@H](N)c1ccc(Oc2cccc3c2OC(C)(C)C3)cc1
InChIInChI=1S/C18H21NO2/c1-12(19)13-7-9-15(10-8-13)20-16-6-4-5-14-11-18(2,3)21-17(14)16/h4-10,12H,11,19H2,1-3H3/t12-/m1/s1
InChIKeyRGZPYDXQIXONIP-GFCCVEGCSA-N
XLogP4.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine (CID 29273095) is (1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine is C[C@@H](N)c1ccc(Oc2cccc3c2OC(C)(C)C3)cc1.
What is the InChIKey of (1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine?
The InChIKey is RGZPYDXQIXONIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21NO2/c1-12(19)13-7-9-15(10-8-13)20-16-6-4-5-14-11-18(2,3)21-17(14)16/h4-10,12H,11,19H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine?
(1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine has a molecular weight of 283.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]ethanamine is sourced from PubChem (CID 29273095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).