1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine

C17H19NO — CID 114745163

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2cccc3c2OCC3)c1
InChIInChI=1S/C17H19NO/c1-12-4-2-5-13(10-12)11-16(18)15-7-3-6-14-8-9-19-17(14)15/h2-7,10,16H,8-9,11,18H2,1H3
InChIKeyRQAPVKXDLRFQEU-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.17
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine (PubChem CID 114745163) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
PubChem CID114745163
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine
SMILESCc1cccc(CC(N)c2cccc3c2OCC3)c1
InChIInChI=1S/C17H19NO/c1-12-4-2-5-13(10-12)11-16(18)15-7-3-6-14-8-9-19-17(14)15/h2-7,10,16H,8-9,11,18H2,1H3
InChIKeyRQAPVKXDLRFQEU-UHFFFAOYSA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-fluorophenyl)ethanamine
CID 114745088
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethanamine
CID 114745152
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methylphenyl)ethanamine
CID 55068178
1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358
1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
CID 105189364
1-(2,3-dihydro-1-benzofuran-7-yl)-N',N'-dimethylpropane-1,3-diamine
CID 114745997
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfonylethanamine
CID 105053313
2,3-dihydro-1-benzofuran-7-yl-(2-fluoro-4-methylphenyl)methanamine
CID 105053341
2,3-dihydro-1-benzofuran-7-yl-(2,5-dimethylphenyl)methanol
CID 114743334
2,3-dihydro-1-benzofuran-7-yl-(2-methoxy-5-methylphenyl)methanamine
CID 105053233
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 114744440

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine (CID 114745163) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine is Cc1cccc(CC(N)c2cccc3c2OCC3)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine?
The InChIKey is RQAPVKXDLRFQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-4-2-5-13(10-12)11-16(18)15-7-3-6-14-8-9-19-17(14)15/h2-7,10,16H,8-9,11,18H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine has a molecular weight of 253.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 114745163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).