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

C16H18ClFN2O — CID 103052808

IUPAC2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1F)c1ccncc1OC
InChIInChI=1S/C16H18ClFN2O/c1-3-20-15(13-6-7-19-10-16(13)21-2)9-11-8-12(17)4-5-14(11)18/h4-8,10,15,20H,3,9H2,1-2H3
InChIKeyRFHDYMLQTXVZPL-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.78
Rot. Bonds6

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

2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine (PubChem CID 103052808) has the molecular formula C16H18ClFN2O and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
PubChem CID103052808
Molecular FormulaC16H18ClFN2O
Molecular Weight308.78 g/mol
Exact Mass308.11
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1F)c1ccncc1OC
InChIInChI=1S/C16H18ClFN2O/c1-3-20-15(13-6-7-19-10-16(13)21-2)9-11-8-12(17)4-5-14(11)18/h4-8,10,15,20H,3,9H2,1-2H3
InChIKeyRFHDYMLQTXVZPL-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyridinyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105135
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103048649
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
2-(5-chloro-2-methoxyphenyl)-N-ethyl-1-pyrimidin-5-ylethanamine
CID 102923380
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 103053108
1-(5-bromo-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103049207
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065635
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105066036
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065910
[2-(5-chloro-2-fluorophenyl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 103053488
N-[(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]ethanamine
CID 105065970

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine (CID 103052808) is 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine is CCNC(Cc1cc(Cl)ccc1F)c1ccncc1OC.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine?
The InChIKey is RFHDYMLQTXVZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O/c1-3-20-15(13-6-7-19-10-16(13)21-2)9-11-8-12(17)4-5-14(11)18/h4-8,10,15,20H,3,9H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine?
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine has a molecular weight of 308.78 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(3-methoxy-4-pyridinyl)ethanamine is sourced from PubChem (CID 103052808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).