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

C16H18ClFN2 — CID 81454498

IUPAC1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ncccc1C)c1cccc(F)c1Cl
InChIInChI=1S/C16H18ClFN2/c1-3-19-15(10-14-11(2)6-5-9-20-14)12-7-4-8-13(18)16(12)17/h4-9,15,19H,3,10H2,1-2H3
InChIKeyXXHOXUNVPNLPAW-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.08
Rot. Bonds5

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

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 81454498) has the molecular formula C16H18ClFN2 and a molecular weight of 292.78 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
PubChem CID81454498
Molecular FormulaC16H18ClFN2
Molecular Weight292.78 g/mol
Exact Mass292.11
IUPAC Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ncccc1C)c1cccc(F)c1Cl
InChIInChI=1S/C16H18ClFN2/c1-3-19-15(10-14-11(2)6-5-9-20-14)12-7-4-8-13(18)16(12)17/h4-9,15,19H,3,10H2,1-2H3
InChIKeyXXHOXUNVPNLPAW-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 ≤ 500292.78
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448253
1-(2-chloro-3-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 81461099
N-ethyl-1-(2-fluoro-6-methoxyphenyl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66445906
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 81454386
1,2-bis(2-chloro-3-fluorophenyl)-N-ethylethanamine
CID 105032410
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81454622
1-(3,4-dichlorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66446099
1-(3-bromophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66448055
1-(2-chloro-3-fluorophenyl)-2-(2-chloro-5-fluorophenyl)-N-ethylethanamine
CID 102622933
2-(2,6-dimethylphenyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105174636
1-(2-chloro-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839959
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-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine (CID 81454498) is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine is CCNC(Cc1ncccc1C)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is XXHOXUNVPNLPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-3-19-15(10-14-11(2)6-5-9-20-14)12-7-4-8-13(18)16(12)17/h4-9,15,19H,3,10H2,1-2H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine?
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 292.78 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-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 81454498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).