2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine

C15H16ClFN2O — CID 115984888

IUPAC2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H16ClFN2O/c1-18-14(7-10-5-6-19-9-12(10)16)11-3-4-13(17)15(8-11)20-2/h3-6,8-9,14,18H,7H2,1-2H3
InChIKeyVRTRPNNBMBRGBS-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.39
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine

2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine (PubChem CID 115984888) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
PubChem CID115984888
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
SMILESCNC(Cc1ccncc1Cl)c1ccc(F)c(OC)c1
InChIInChI=1S/C15H16ClFN2O/c1-18-14(7-10-5-6-19-9-12(10)16)11-3-4-13(17)15(8-11)20-2/h3-6,8-9,14,18H,7H2,1-2H3
InChIKeyVRTRPNNBMBRGBS-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105037879
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105036812
2-(2,4-difluorophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81288701
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 115863105
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
2-(3-chloro-4-pyridinyl)-1-(2,3-dimethoxyphenyl)-N-methylethanamine
CID 115984879
2-(3-chloro-4-pyridinyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 105157425
3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine
CID 115985113
2-(4-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 81284038
1-(4-chloro-3-methoxyphenyl)-N-methyl-2-pyridin-4-ylethanamine
CID 79697191
2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 115984864
1-(5-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)-N-ethylethanamine
CID 115984974

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine (CID 115984888) is 2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine is CNC(Cc1ccncc1Cl)c1ccc(F)c(OC)c1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
The InChIKey is VRTRPNNBMBRGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-18-14(7-10-5-6-19-9-12(10)16)11-3-4-13(17)15(8-11)20-2/h3-6,8-9,14,18H,7H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine?
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine has a molecular weight of 294.76 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 115984888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).