2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine

C15H16ClFN2 — CID 107891606

IUPAC2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Cl)c(F)c2)c(C)n1
InChIInChI=1S/C15H16ClFN2/c1-9-3-5-12(10(2)19-9)15(18)8-11-4-6-13(16)14(17)7-11/h3-7,15H,8,18H2,1-2H3
InChIKeyRHUNLJTZTQFQCR-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.73
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine

2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine (PubChem CID 107891606) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
PubChem CID107891606
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Cl)c(F)c2)c(C)n1
InChIInChI=1S/C15H16ClFN2/c1-9-3-5-12(10(2)19-9)15(18)8-11-4-6-13(16)14(17)7-11/h3-7,15H,8,18H2,1-2H3
InChIKeyRHUNLJTZTQFQCR-UHFFFAOYSA-N
XLogP3.73
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 107891668
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107892584
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 107885313
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
2-(4-chloro-3-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 107891535
1-(4-chloro-2-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 55188144
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 107885041
[2-(4-chloro-3-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine
CID 107895008
2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
CID 114012684
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885245
2-(3-bromo-4-methoxyphenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 105110930
1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
CID 115347398

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine (CID 107891606) is 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine is Cc1ccc(C(N)Cc2ccc(Cl)c(F)c2)c(C)n1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
The InChIKey is RHUNLJTZTQFQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-9-3-5-12(10(2)19-9)15(18)8-11-4-6-13(16)14(17)7-11/h3-7,15H,8,18H2,1-2H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine?
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine has a molecular weight of 278.76 g/mol, XLogP of 3.73, 3 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-(2,6-dimethyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 107891606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).