2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine

C14H14ClFN2 — CID 112655458

IUPAC2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(N)Cc2ccncc2Cl)c1
InChIInChI=1S/C14H14ClFN2/c1-9-2-3-13(16)11(6-9)14(17)7-10-4-5-18-8-12(10)15/h2-6,8,14H,7,17H2,1H3
InChIKeyOSRKMYPMUPRHIK-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.43
Rot. Bonds3

About 2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine

2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine (PubChem CID 112655458) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
PubChem CID112655458
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(N)Cc2ccncc2Cl)c1
InChIInChI=1S/C14H14ClFN2/c1-9-2-3-13(16)11(6-9)14(17)7-10-4-5-18-8-12(10)15/h2-6,8,14H,7,17H2,1H3
InChIKeyOSRKMYPMUPRHIK-UHFFFAOYSA-N
XLogP3.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655450
2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791423
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 106866648
3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
CID 112655906
2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 102622472
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
2-(2-chloro-4-fluorophenyl)-1-(2-fluoro-4-methylphenyl)ethanamine
CID 115840484
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 115863331
1-(2-bromo-3,4-difluorophenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 107538663

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine (CID 112655458) is 2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine is Cc1ccc(F)c(C(N)Cc2ccncc2Cl)c1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine?
The InChIKey is OSRKMYPMUPRHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-9-2-3-13(16)11(6-9)14(17)7-10-4-5-18-8-12(10)15/h2-6,8,14H,7,17H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine?
2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine has a molecular weight of 264.73 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine is sourced from PubChem (CID 112655458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).