2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine

C15H16ClFN2 — CID 114856908

IUPAC2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCc1cnc(C(N)Cc2ccc(Cl)cc2F)c(C)c1
InChIInChI=1S/C15H16ClFN2/c1-9-5-10(2)15(19-8-9)14(18)6-11-3-4-12(16)7-13(11)17/h3-5,7-8,14H,6,18H2,1-2H3
InChIKeySOXNVVMLSFSPNI-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.73
Rot. Bonds3

About 2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine

2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine (PubChem CID 114856908) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
PubChem CID114856908
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
SMILESCc1cnc(C(N)Cc2ccc(Cl)cc2F)c(C)c1
InChIInChI=1S/C15H16ClFN2/c1-9-5-10(2)15(19-8-9)14(18)6-11-3-4-12(16)7-13(11)17/h3-5,7-8,14H,6,18H2,1-2H3
InChIKeySOXNVVMLSFSPNI-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

1-(3,5-dimethyl-2-pyridinyl)-2-(2-fluorophenyl)ethanamine
CID 113365597
2-(2-chlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 113365589
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine
CID 106268375
2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 105055258
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 114855471
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79781021
2-(2-chloro-4-methylphenyl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 106868543
[2-(2-chloro-6-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethyl]hydrazine
CID 105266266
2-(4-chloro-2-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114855881
2-(4-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 105055314
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine (CID 114856908) is 2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine is Cc1cnc(C(N)Cc2ccc(Cl)cc2F)c(C)c1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine?
The InChIKey is SOXNVVMLSFSPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-9-5-10(2)15(19-8-9)14(18)6-11-3-4-12(16)7-13(11)17/h3-5,7-8,14H,6,18H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine?
2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethyl-2-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-2-fluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 114856908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).