1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol

C17H25NO3 — CID 78954759

IUPAC1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1cc2c(cc1CNCC1(O)CCCC1)OC(C)C2
InChIInChI=1S/C17H25NO3/c1-12-7-13-8-15(20-2)14(9-16(13)21-12)10-18-11-17(19)5-3-4-6-17/h8-9,12,18-19H,3-7,10-11H2,1-2H3
InChIKeyZIAUONQSMHWACA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.41
Rot. Bonds5

About 1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol

1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 78954759) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID78954759
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol
SMILESCOc1cc2c(cc1CNCC1(O)CCCC1)OC(C)C2
InChIInChI=1S/C17H25NO3/c1-12-7-13-8-15(20-2)14(9-16(13)21-12)10-18-11-17(19)5-3-4-6-17/h8-9,12,18-19H,3-7,10-11H2,1-2H3
InChIKeyZIAUONQSMHWACA-UHFFFAOYSA-N
XLogP2.41
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]prop-2-yn-1-amine
CID 78910545
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pent-3-yn-1-amine
CID 116643112
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544
1-[[(2,4,5-trimethoxyphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621533
2-cyclopentyl-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]ethanamine
CID 115280469
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-methylpropanenitrile
CID 115349644
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
CID 78910434
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 56812561
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-N,N-dimethylpropanamide
CID 78989547
1-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724341
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine
CID 78974962
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106186264

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol (CID 78954759) is 1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol is COc1cc2c(cc1CNCC1(O)CCCC1)OC(C)C2.
What is the InChIKey of 1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is ZIAUONQSMHWACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-7-13-8-15(20-2)14(9-16(13)21-12)10-18-11-17(19)5-3-4-6-17/h8-9,12,18-19H,3-7,10-11H2,1-2H3.
What are the key properties of 1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol?
1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 291.39 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 78954759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).