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

C16H18ClFN2 — CID 81454622

IUPAC1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(C)cn1)c1cccc(F)c1Cl
InChIInChI=1S/C16H18ClFN2/c1-3-19-15(9-12-8-7-11(2)10-20-12)13-5-4-6-14(18)16(13)17/h4-8,10,15,19H,3,9H2,1-2H3
InChIKeyVHGSUPSEKALSCN-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.08
Rot. Bonds5

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

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 81454622) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID81454622
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(C)cn1)c1cccc(F)c1Cl
InChIInChI=1S/C16H18ClFN2/c1-3-19-15(9-12-8-7-11(2)10-20-12)13-5-4-6-14(18)16(13)17/h4-8,10,15,19H,3,9H2,1-2H3
InChIKeyVHGSUPSEKALSCN-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 82797111
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2-bromo-5-methylphenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81111195
1-(2,3-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447887
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 81454498
N-[1-(5-chloro-2-fluorophenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66461658
1-(3-bromo-2-chlorophenyl)-N-ethyl-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014661
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 81454386
1-(2,6-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446542
N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66459041
1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 107955465
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 81453728

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine (CID 81454622) is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine is CCNC(Cc1ccc(C)cn1)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is VHGSUPSEKALSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-3-19-15(9-12-8-7-11(2)10-20-12)13-5-4-6-14(18)16(13)17/h4-8,10,15,19H,3,9H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine?
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 292.79 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 81454622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).