1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine

C18H21NO — CID 114744941

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1cccc2c1OCC2
InChIInChI=1S/C18H21NO/c1-2-19-17(13-14-7-4-3-5-8-14)16-10-6-9-15-11-12-20-18(15)16/h3-10,17,19H,2,11-13H2,1H3
InChIKeyPBCYYFIEYBNKGX-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.51
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine

1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine (PubChem CID 114744941) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine
PubChem CID114744941
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine
SMILESCCNC(Cc1ccccc1)c1cccc2c1OCC2
InChIInChI=1S/C18H21NO/c1-2-19-17(13-14-7-4-3-5-8-14)16-10-6-9-15-11-12-20-18(15)16/h3-10,17,19H,2,11-13H2,1H3
InChIKeyPBCYYFIEYBNKGX-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 105187245
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2,2-dimethylbutan-1-amine
CID 105053334
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105198455
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine
CID 114745502
N-[2,3-dihydro-1-benzofuran-7-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 105053489
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
N-[2,3-dihydro-1-benzofuran-7-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105053520
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208501
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114745216

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine (CID 114744941) is 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine is CCNC(Cc1ccccc1)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine?
The InChIKey is PBCYYFIEYBNKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-19-17(13-14-7-4-3-5-8-14)16-10-6-9-15-11-12-20-18(15)16/h3-10,17,19H,2,11-13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine?
1-(2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-2-phenylethanamine has a molecular weight of 267.37 g/mol, XLogP of 3.51, 5 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)-N-ethyl-2-phenylethanamine is sourced from PubChem (CID 114744941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).