1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine

C16H26N2O — CID 62977089

IUPAC1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NC1CCN(C)C1
InChIInChI=1S/C16H26N2O/c1-11-7-13-14(17-12-5-6-18(4)10-12)8-16(2,3)9-15(13)19-11/h7,12,14,17H,5-6,8-10H2,1-4H3
InChIKeyRUERKTQNBNIECQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.90
Rot. Bonds2

About 1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine

1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine (PubChem CID 62977089) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine
PubChem CID62977089
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine
SMILESCc1cc2c(o1)CC(C)(C)CC2NC1CCN(C)C1
InChIInChI=1S/C16H26N2O/c1-11-7-13-14(17-12-5-6-18(4)10-12)8-16(2,3)9-15(13)19-11/h7,12,14,17H,5-6,8-10H2,1-4H3
InChIKeyRUERKTQNBNIECQ-UHFFFAOYSA-N
XLogP2.90
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine (CID 62977089) is 1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine is Cc1cc2c(o1)CC(C)(C)CC2NC1CCN(C)C1.
What is the InChIKey of 1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine?
The InChIKey is RUERKTQNBNIECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11-7-13-14(17-12-5-6-18(4)10-12)8-16(2,3)9-15(13)19-11/h7,12,14,17H,5-6,8-10H2,1-4H3.
What are the key properties of 1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine?
1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 62977089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).