(2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine

C12H15NO — CID 121493472

IUPAC(2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine
SMILESCN[C@@H](C)Cc1ccc2occc2c1
InChIInChI=1S/C12H15NO/c1-9(13-2)7-10-3-4-12-11(8-10)5-6-14-12/h3-6,8-9,13H,7H2,1-2H3/t9-/m0/s1
InChIKeyZOVRTIPCNFERHY-VIFPVBQESA-N
MW189.26 g/mol
LogP2.58
Rot. Bonds3

About (2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine

(2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine (PubChem CID 121493472) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine
PubChem CID121493472
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine
SMILESCN[C@@H](C)Cc1ccc2occc2c1
InChIInChI=1S/C12H15NO/c1-9(13-2)7-10-3-4-12-11(8-10)5-6-14-12/h3-6,8-9,13H,7H2,1-2H3/t9-/m0/s1
InChIKeyZOVRTIPCNFERHY-VIFPVBQESA-N
XLogP2.58
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine?
The IUPAC name of (2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine (CID 121493472) is (2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine.
What is the SMILES notation for (2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine?
The canonical SMILES for (2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine is CN[C@@H](C)Cc1ccc2occc2c1.
What is the InChIKey of (2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine?
The InChIKey is ZOVRTIPCNFERHY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15NO/c1-9(13-2)7-10-3-4-12-11(8-10)5-6-14-12/h3-6,8-9,13H,7H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine?
(2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine has a molecular weight of 189.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-benzofuran-5-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 121493472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).