2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine

C17H27NO2 — CID 66365008

IUPAC2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCC(CC1Cc2ccccc2O1)C(C)C
InChIInChI=1S/C17H27NO2/c1-13(2)15(12-18-8-9-19-3)11-16-10-14-6-4-5-7-17(14)20-16/h4-7,13,15-16,18H,8-12H2,1-3H3
InChIKeyGSFCUZQYTQFQHO-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.89
Rot. Bonds8

About 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine

2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine (PubChem CID 66365008) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
PubChem CID66365008
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCC(CC1Cc2ccccc2O1)C(C)C
InChIInChI=1S/C17H27NO2/c1-13(2)15(12-18-8-9-19-3)11-16-10-14-6-4-5-7-17(14)20-16/h4-7,13,15-16,18H,8-12H2,1-3H3
InChIKeyGSFCUZQYTQFQHO-UHFFFAOYSA-N
XLogP2.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1-benzofuran-2-yl)-N-(2-methoxyethyl)ethanamine
CID 66365011
N-(2-methoxyethyl)-3-methyl-2-[(5-methyloxolan-2-yl)methyl]butan-1-amine
CID 103138623
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3-dimethylbutan-1-amine
CID 66365130
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905615
N-[[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720600
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110940538
N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
CID 62718997
3-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-methylpentan-2-ol
CID 66363821
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,3,3-trimethylbutan-1-amine
CID 83144599
4-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutan-2-ol
CID 66363239
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4-dimethylpentan-1-amine
CID 66365394

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine (CID 66365008) is 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine is COCCNCC(CC1Cc2ccccc2O1)C(C)C.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The InChIKey is GSFCUZQYTQFQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)15(12-18-8-9-19-3)11-16-10-14-6-4-5-7-17(14)20-16/h4-7,13,15-16,18H,8-12H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine?
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-(2-methoxyethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 66365008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).