N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine

C14H17NO2 — CID 104805129

IUPACN-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCC#CCCOc1ccc2c(c1)OCC2NC
InChIInChI=1S/C14H17NO2/c1-3-4-5-8-16-11-6-7-12-13(15-2)10-17-14(12)9-11/h6-7,9,13,15H,5,8,10H2,1-2H3
InChIKeyCWDRQTOVAOANPK-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.13
Rot. Bonds4

About N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine

N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 104805129) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID104805129
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC NameN-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCC#CCCOc1ccc2c(c1)OCC2NC
InChIInChI=1S/C14H17NO2/c1-3-4-5-8-16-11-6-7-12-13(15-2)10-17-14(12)9-11/h6-7,9,13,15H,5,8,10H2,1-2H3
InChIKeyCWDRQTOVAOANPK-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-propoxy-2,3-dihydro-1-benzofuran-3-amine
CID 63095165
6-(3,3-dimethylbutoxy)-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63094976
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-1-ol
CID 63096736
6-[3-(dimethylamino)propoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 114524835
4-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]butan-2-ol
CID 113398857
2,2-dimethyl-6-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxy]hexanenitrile
CID 106708821
N-methyl-6-(2-pyridin-2-ylethoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 63095507
N-methyl-6-(2-methylidenebutoxy)-2,3-dihydro-1-benzofuran-3-amine
CID 66044717
N-methyl-6-[2-(2-methylimidazol-1-yl)ethoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63094974
N-methyl-6-propan-2-yloxy-2,3-dihydro-1-benzofuran-3-amine
CID 63096218
2-[1-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]cyclopropyl]acetonitrile
CID 65482109
3-[[3-(methylamino)-2,3-dihydro-1-benzofuran-6-yl]oxymethyl]benzonitrile
CID 63096560

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine (CID 104805129) is N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine is CC#CCCOc1ccc2c(c1)OCC2NC.
What is the InChIKey of N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is CWDRQTOVAOANPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-4-5-8-16-11-6-7-12-13(15-2)10-17-14(12)9-11/h6-7,9,13,15H,5,8,10H2,1-2H3.
What are the key properties of N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine?
N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 231.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-pent-3-ynoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 104805129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).