1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine

C17H19NO2 — CID 66361170

IUPAC1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine
SMILESCc1ccc2c(c1)CC(CNOCc1ccccc1)O2
InChIInChI=1S/C17H19NO2/c1-13-7-8-17-15(9-13)10-16(20-17)11-18-19-12-14-5-3-2-4-6-14/h2-9,16,18H,10-12H2,1H3
InChIKeyLLVGTKKOXZNIHL-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.02
Rot. Bonds5

About 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine

1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine (PubChem CID 66361170) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine.

Molecular Properties

Compound Name1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine
PubChem CID66361170
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine
SMILESCc1ccc2c(c1)CC(CNOCc1ccccc1)O2
InChIInChI=1S/C17H19NO2/c1-13-7-8-17-15(9-13)10-16(20-17)11-18-19-12-14-5-3-2-4-6-14/h2-9,16,18H,10-12H2,1H3
InChIKeyLLVGTKKOXZNIHL-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-phenylethanamine
CID 66360372
2-iodo-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
CID 66361533
N-[(2-ethylphenyl)methyl]-1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 66360586
1-N,1-N-dimethyl-2-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]propane-1,2-diamine
CID 82939013
[4-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]cyclohexyl]methanol
CID 66361165
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclobutanamine
CID 66360582
2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylamino]ethanol
CID 66359994
3,3-dimethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 104828148
3-ethyl-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pentan-3-amine
CID 66361361
N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentanamine
CID 66360179
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
1-(5-bromo-2,3-dihydro-1-benzofuran-2-yl)-N-ethoxymethanamine
CID 66392429

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine?
The IUPAC name of 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine (CID 66361170) is 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine.
What is the SMILES notation for 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine?
The canonical SMILES for 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine is Cc1ccc2c(c1)CC(CNOCc1ccccc1)O2.
What is the InChIKey of 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine?
The InChIKey is LLVGTKKOXZNIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-7-8-17-15(9-13)10-16(20-17)11-18-19-12-14-5-3-2-4-6-14/h2-9,16,18H,10-12H2,1H3.
What are the key properties of 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine?
1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine has a molecular weight of 269.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2,3-dihydro-1-benzofuran-2-yl)-N-phenylmethoxymethanamine is sourced from PubChem (CID 66361170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).