1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine

C18H20FNO — CID 107293570

IUPAC1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine
SMILESCC1(C)COc2ccc(C(N)Cc3ccc(F)cc3)cc21
InChIInChI=1S/C18H20FNO/c1-18(2)11-21-17-8-5-13(10-15(17)18)16(20)9-12-3-6-14(19)7-4-12/h3-8,10,16H,9,11,20H2,1-2H3
InChIKeyYJDHBWFTTAHRFL-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.74
Rot. Bonds3

About 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine (PubChem CID 107293570) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine
PubChem CID107293570
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine
SMILESCC1(C)COc2ccc(C(N)Cc3ccc(F)cc3)cc21
InChIInChI=1S/C18H20FNO/c1-18(2)11-21-17-8-5-13(10-15(17)18)16(20)9-12-3-6-14(19)7-4-12/h3-8,10,16H,9,11,20H2,1-2H3
InChIKeyYJDHBWFTTAHRFL-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine
CID 107293388
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)hexan-1-amine
CID 107293547
5-[bromo-(3,5-difluorophenyl)methyl]-3,3-dimethyl-2H-1-benzofuran
CID 107294572
(1R)-1,2-bis(4-fluorophenyl)ethanamine
CID 42058912
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-methylsulfanylphenyl)methanamine
CID 107293403
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151
2-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethanamine
CID 82604219
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine
CID 107293503
5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294445
(5-chloro-2-fluorophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294047
(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293441

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine (CID 107293570) is 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine is CC1(C)COc2ccc(C(N)Cc3ccc(F)cc3)cc21.
What is the InChIKey of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is YJDHBWFTTAHRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-18(2)11-21-17-8-5-13(10-15(17)18)16(20)9-12-3-6-14(19)7-4-12/h3-8,10,16H,9,11,20H2,1-2H3.
What are the key properties of 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine?
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 285.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 107293570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).