N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine

C17H25NO3 — CID 78974962

IUPACN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCOc1cc2c(cc1CNCC1CCCCO1)OC(C)C2
InChIInChI=1S/C17H25NO3/c1-12-7-13-8-16(19-2)14(9-17(13)21-12)10-18-11-15-5-3-4-6-20-15/h8-9,12,15,18H,3-7,10-11H2,1-2H3
InChIKeyWDVCXMNOFAYWMT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.68
Rot. Bonds5

About N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine (PubChem CID 78974962) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine
PubChem CID78974962
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine
SMILESCOc1cc2c(cc1CNCC1CCCCO1)OC(C)C2
InChIInChI=1S/C17H25NO3/c1-12-7-13-8-16(19-2)14(9-17(13)21-12)10-18-11-15-5-3-4-6-20-15/h8-9,12,15,18H,3-7,10-11H2,1-2H3
InChIKeyWDVCXMNOFAYWMT-UHFFFAOYSA-N
XLogP2.68
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

2-cyclopentyl-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]ethanamine
CID 115280469
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]cyclopentanamine
CID 78910434
1-[(2R)-4-benzylmorpholin-2-yl]-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]methanamine
CID 25474874
3-ethoxy-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propan-1-amine
CID 78910435
1-[[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]methyl]cyclopentan-1-ol
CID 78954759
N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97073285
N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-[(8R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]methanamine
CID 97073286
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]pent-3-yn-1-amine
CID 116643112
3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoic acid
CID 115349492
1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 78942119
trans-(1R,2R)-N-[[(2R)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 124859758

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine (CID 78974962) is N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine is COc1cc2c(cc1CNCC1CCCCO1)OC(C)C2.
What is the InChIKey of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine?
The InChIKey is WDVCXMNOFAYWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-7-13-8-16(19-2)14(9-17(13)21-12)10-18-11-15-5-3-4-6-20-15/h8-9,12,15,18H,3-7,10-11H2,1-2H3.
What are the key properties of N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine?
N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine has a molecular weight of 291.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 78974962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).