2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine

C14H15ClFNO — CID 105032520

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2cccc(F)c2Cl)c(C)o1
InChIInChI=1S/C14H15ClFNO/c1-8-6-11(9(2)18-8)13(17)7-10-4-3-5-12(16)14(10)15/h3-6,13H,7,17H2,1-2H3
InChIKeyDQQMXLTUKSJKMX-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.93
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine

2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine (PubChem CID 105032520) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
PubChem CID105032520
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
SMILESCc1cc(C(N)Cc2cccc(F)c2Cl)c(C)o1
InChIInChI=1S/C14H15ClFNO/c1-8-6-11(9(2)18-8)13(17)7-10-4-3-5-12(16)14(10)15/h3-6,13H,7,17H2,1-2H3
InChIKeyDQQMXLTUKSJKMX-UHFFFAOYSA-N
XLogP3.93
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylfuran-3-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 105035575
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 105032385
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 105032399
2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 106867653
2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791439
2-(5-chlorothiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 115841648
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
1-(2-chloro-3-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-amine
CID 115983731
2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 112653545
2-(2-chloro-3-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 112653700
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115983920
1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 105032643

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine (CID 105032520) is 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine is Cc1cc(C(N)Cc2cccc(F)c2Cl)c(C)o1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
The InChIKey is DQQMXLTUKSJKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-8-6-11(9(2)18-8)13(17)7-10-4-3-5-12(16)14(10)15/h3-6,13H,7,17H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine?
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine has a molecular weight of 267.73 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine is sourced from PubChem (CID 105032520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).