2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine

C15H16ClFN2 — CID 103043135

IUPAC2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1cncc(C)c1
InChIInChI=1S/C15H16ClFN2/c1-10-5-12(9-19-8-10)15(18-2)7-11-3-4-14(17)13(16)6-11/h3-6,8-9,15,18H,7H2,1-2H3
InChIKeyAILMXQJYCKXKTN-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.69
Rot. Bonds4

About 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine

2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine (PubChem CID 103043135) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
PubChem CID103043135
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(F)c(Cl)c1)c1cncc(C)c1
InChIInChI=1S/C15H16ClFN2/c1-10-5-12(9-19-8-10)15(18-2)7-11-3-4-14(17)13(16)6-11/h3-6,8-9,15,18H,7H2,1-2H3
InChIKeyAILMXQJYCKXKTN-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
N-methyl-1-(5-methyl-3-pyridinyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 105137056
2-(3,4-dimethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374488
2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 54967680
2-(3-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 113297174
[2-(4-chloro-3-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 114013717
2-(4-ethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105101832
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 113297209
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
2-(3-chloro-4-fluorophenyl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 103040348
N-methyl-1-(5-methyl-3-pyridinyl)-2-pyridin-3-ylethanamine
CID 113297193
2-(3-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105169477

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine (CID 103043135) is 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine is CNC(Cc1ccc(F)c(Cl)c1)c1cncc(C)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine?
The InChIKey is AILMXQJYCKXKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10-5-12(9-19-8-10)15(18-2)7-11-3-4-14(17)13(16)6-11/h3-6,8-9,15,18H,7H2,1-2H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine?
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine has a molecular weight of 278.76 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 103043135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).