2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine

C17H17ClFNO — CID 107885094

IUPAC2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(F)c1)C1COc2ccccc21
InChIInChI=1S/C17H17ClFNO/c1-20-16(9-11-6-7-14(18)15(19)8-11)13-10-21-17-5-3-2-4-12(13)17/h2-8,13,16,20H,9-10H2,1H3
InChIKeyOJKRUWMNBGXDKK-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine

2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine (PubChem CID 107885094) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine
PubChem CID107885094
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(F)c1)C1COc2ccccc21
InChIInChI=1S/C17H17ClFNO/c1-20-16(9-11-6-7-14(18)15(19)8-11)13-10-21-17-5-3-2-4-12(13)17/h2-8,13,16,20H,9-10H2,1H3
InChIKeyOJKRUWMNBGXDKK-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylethanamine
CID 65411645
[2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 102868102
[2-(2-chloro-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262591
[2-(3,5-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105412991
1-(2,3-dihydro-1-benzofuran-3-yl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107129103
[2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262757
1-(4-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 107884614
2-(3,4-dichlorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)-N-methylethanamine
CID 105136455
2-(4-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylethanamine
CID 107892144
1-(4-chloro-3-fluorophenyl)-3-cyclopropyl-N-methylbutan-2-amine
CID 107891920
2-(4-chloro-3-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 107885067
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(5-methyloxolan-3-yl)ethanamine
CID 107892140

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine (CID 107885094) is 2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine is CNC(Cc1ccc(Cl)c(F)c1)C1COc2ccccc21.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine?
The InChIKey is OJKRUWMNBGXDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-20-16(9-11-6-7-14(18)15(19)8-11)13-10-21-17-5-3-2-4-12(13)17/h2-8,13,16,20H,9-10H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine?
2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine has a molecular weight of 305.78 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)-N-methylethanamine is sourced from PubChem (CID 107885094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).