(2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine

C24H32N2O — CID 10785018

IUPAC(2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)C[C@](C)(CN1CCC(c3ccccc3)CC1)O2
InChIInChI=1S/C24H32N2O/c1-16-17(2)23-21(18(3)22(16)25)14-24(4,27-23)15-26-12-10-20(11-13-26)19-8-6-5-7-9-19/h5-9,20H,10-15,25H2,1-4H3/t24-/m1/s1
InChIKeyOFJJFTDZPRQPBY-XMMPIXPASA-N
MW364.53 g/mol
LogP4.77
Rot. Bonds3

About (2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine

(2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine (PubChem CID 10785018) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is (2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine.

Molecular Properties

Compound Name(2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine
PubChem CID10785018
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name(2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine
SMILESCc1c(C)c2c(c(C)c1N)C[C@](C)(CN1CCC(c3ccccc3)CC1)O2
InChIInChI=1S/C24H32N2O/c1-16-17(2)23-21(18(3)22(16)25)14-24(4,27-23)15-26-12-10-20(11-13-26)19-8-6-5-7-9-19/h5-9,20H,10-15,25H2,1-4H3/t24-/m1/s1
InChIKeyOFJJFTDZPRQPBY-XMMPIXPASA-N
XLogP4.77
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine?
The IUPAC name of (2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine (CID 10785018) is (2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine.
What is the SMILES notation for (2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine?
The canonical SMILES for (2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine is Cc1c(C)c2c(c(C)c1N)C[C@](C)(CN1CCC(c3ccccc3)CC1)O2.
What is the InChIKey of (2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine?
The InChIKey is OFJJFTDZPRQPBY-XMMPIXPASA-N. The full InChI is InChI=1S/C24H32N2O/c1-16-17(2)23-21(18(3)22(16)25)14-24(4,27-23)15-26-12-10-20(11-13-26)19-8-6-5-7-9-19/h5-9,20H,10-15,25H2,1-4H3/t24-/m1/s1.
What are the key properties of (2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine?
(2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine has a molecular weight of 364.53 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4,6,7-tetramethyl-2-[(4-phenylpiperidin-1-yl)methyl]-3H-1-benzofuran-5-amine is sourced from PubChem (CID 10785018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).