1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine

C18H20FNO — CID 63020068

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1ccc2c(c1)COC2
InChIInChI=1S/C18H20FNO/c1-2-20-18(9-13-4-3-5-17(19)8-13)14-6-7-15-11-21-12-16(15)10-14/h3-8,10,18,20H,2,9,11-12H2,1H3
InChIKeyCQMROGRWBGKRCD-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.75
Rot. Bonds5

About 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine

1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine (PubChem CID 63020068) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
PubChem CID63020068
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1ccc2c(c1)COC2
InChIInChI=1S/C18H20FNO/c1-2-20-18(9-13-4-3-5-17(19)8-13)14-6-7-15-11-21-12-16(15)10-14/h3-8,10,18,20H,2,9,11-12H2,1H3
InChIKeyCQMROGRWBGKRCD-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63020070
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63743167
3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105096089
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylpentan-1-amine
CID 55145401
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 63508658
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethylhexan-1-amine
CID 55145403
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095783
2-(3,4-dimethylphenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414289
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethylethanamine
CID 105019891
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
CID 106878390
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 107945134

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine (CID 63020068) is 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine is CCNC(Cc1cccc(F)c1)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The InChIKey is CQMROGRWBGKRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-2-20-18(9-13-4-3-5-17(19)8-13)14-6-7-15-11-21-12-16(15)10-14/h3-8,10,18,20H,2,9,11-12H2,1H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 63020068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).