(1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine

C20H25NO2 — CID 30615935

IUPAC(1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine
SMILESCOc1cc2c(cc1CN[C@@H](C)c1ccccc1C)O[C@@H](C)C2
InChIInChI=1S/C20H25NO2/c1-13-7-5-6-8-18(13)15(3)21-12-17-11-20-16(9-14(2)23-20)10-19(17)22-4/h5-8,10-11,14-15,21H,9,12H2,1-4H3/t14-,15-/m0/s1
InChIKeyGAOSVTVSRXCOEZ-GJZGRUSLSA-N
MW311.43 g/mol
LogP4.18
Rot. Bonds5

About (1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine

(1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 30615935) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine
PubChem CID30615935
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine
SMILESCOc1cc2c(cc1CN[C@@H](C)c1ccccc1C)O[C@@H](C)C2
InChIInChI=1S/C20H25NO2/c1-13-7-5-6-8-18(13)15(3)21-12-17-11-20-16(9-14(2)23-20)10-19(17)22-4/h5-8,10-11,14-15,21H,9,12H2,1-4H3/t14-,15-/m0/s1
InChIKeyGAOSVTVSRXCOEZ-GJZGRUSLSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine with MolForge

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Related Compounds

(1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine
CID 115349722
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pentan-2-amine
CID 78910436
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pentan-3-amine
CID 78910481
(2S)-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-3-methylbutan-1-ol
CID 79831437
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115639965
ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate
CID 115282644
1-[(2R)-2,3-dihydro-1-benzofuran-2-yl]-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine
CID 34539767
2-bromo-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]aniline
CID 115349438
N-ethyl-2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanamide
CID 78910537
(2R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 38055468
(1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 97024838
(1R)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 97024840

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine (CID 30615935) is (1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine is COc1cc2c(cc1CN[C@@H](C)c1ccccc1C)O[C@@H](C)C2.
What is the InChIKey of (1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is GAOSVTVSRXCOEZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13-7-5-6-8-18(13)15(3)21-12-17-11-20-16(9-14(2)23-20)10-19(17)22-4/h5-8,10-11,14-15,21H,9,12H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of (1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine?
(1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 311.43 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 30615935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).