2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine

C15H16ClFN2 — CID 63155784

IUPAC2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1ccc(C)nc1
InChIInChI=1S/C15H16ClFN2/c1-10-3-4-12(9-19-10)15(18-2)7-11-5-6-13(17)8-14(11)16/h3-6,8-9,15,18H,7H2,1-2H3
InChIKeyUPQBTARLVFTJBM-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.69
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine

2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 63155784) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
PubChem CID63155784
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1ccc(C)nc1
InChIInChI=1S/C15H16ClFN2/c1-10-3-4-12(9-19-10)15(18-2)7-11-5-6-13(17)8-14(11)16/h3-6,8-9,15,18H,7H2,1-2H3
InChIKeyUPQBTARLVFTJBM-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-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157425
1-(3-bromo-4-methylphenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 115840570
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(4-propylphenyl)ethanamine
CID 63419902
1-(3-bromo-5-methylphenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 115840406
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115840518
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687616
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)ethanamine
CID 107974361
2-(3,5-dimethylphenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155527
2-(2,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 63412888
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 104804658
2-(2-chloro-4-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 63033863

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine (CID 63155784) is 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine is CNC(Cc1ccc(F)cc1Cl)c1ccc(C)nc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is UPQBTARLVFTJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-10-3-4-12(9-19-10)15(18-2)7-11-5-6-13(17)8-14(11)16/h3-6,8-9,15,18H,7H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine?
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-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-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 63155784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).