2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine

C20H25NO2 — CID 166375722

IUPAC2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine
SMILESCOc1cccc(C(C)(C)NCc2ccc3c(c2)CC(C)O3)c1
InChIInChI=1S/C20H25NO2/c1-14-10-16-11-15(8-9-19(16)23-14)13-21-20(2,3)17-6-5-7-18(12-17)22-4/h5-9,11-12,14,21H,10,13H2,1-4H3
InChIKeyFLLFABUNAMWMHU-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.04
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine

2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine (PubChem CID 166375722) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine
PubChem CID166375722
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine
SMILESCOc1cccc(C(C)(C)NCc2ccc3c(c2)CC(C)O3)c1
InChIInChI=1S/C20H25NO2/c1-14-10-16-11-15(8-9-19(16)23-14)13-21-20(2,3)17-6-5-7-18(12-17)22-4/h5-9,11-12,14,21H,10,13H2,1-4H3
InChIKeyFLLFABUNAMWMHU-UHFFFAOYSA-N
XLogP4.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine (CID 166375722) is 2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine is COc1cccc(C(C)(C)NCc2ccc3c(c2)CC(C)O3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine?
The InChIKey is FLLFABUNAMWMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-10-16-11-15(8-9-19(16)23-14)13-21-20(2,3)17-6-5-7-18(12-17)22-4/h5-9,11-12,14,21H,10,13H2,1-4H3.
What are the key properties of 2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine?
2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine has a molecular weight of 311.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 166375722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).