1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine

C21H20ClFN2O — CID 75112907

IUPAC1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cccc(Cl)c2)nc1-c1cccc(F)c1
InChIInChI=1S/C21H20ClFN2O/c1-14(15-5-3-7-17(22)11-15)24-13-19-9-10-20(26-2)21(25-19)16-6-4-8-18(23)12-16/h3-12,14,24H,13H2,1-2H3
InChIKeyBVTLNLPITBOQOK-UHFFFAOYSA-N
MW370.86 g/mol
LogP5.40
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine

1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine (PubChem CID 75112907) has the molecular formula C21H20ClFN2O and a molecular weight of 370.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
PubChem CID75112907
Molecular FormulaC21H20ClFN2O
Molecular Weight370.86 g/mol
Exact Mass370.12
IUPAC Name1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
SMILESCOc1ccc(CNC(C)c2cccc(Cl)c2)nc1-c1cccc(F)c1
InChIInChI=1S/C21H20ClFN2O/c1-14(15-5-3-7-17(22)11-15)24-13-19-9-10-20(26-2)21(25-19)16-6-4-8-18(23)12-16/h3-12,14,24H,13H2,1-2H3
InChIKeyBVTLNLPITBOQOK-UHFFFAOYSA-N
XLogP5.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-Chloro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 14198548
2-(3-chlorophenyl)-3-(111C)methoxy-6-(pyridin-4-ylmethyl)pyridine
CID 168269904
2-(3-chlorophenyl)-N-[(1R)-1-(5-methoxy-2-pyridinyl)ethyl]acetamide
CID 53322350
2-(3-Chlorophenyl)-3-methoxy-6-(pyridin-4-ylmethyl)pyridine
CID 168268677
N-[(2-chloro-6-fluorophenyl)methyl]-8-methoxy-2-methylquinolin-4-amine
CID 19900507
(6-Phenoxypyridin-2-yl)methyl 2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanimidate
CID 20571383
(1R)-N-[(1R)-1-[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridin-2-yl]ethyl]-1-phenylethanamine
CID 45136824
(1R)-N-[[5-methoxy-6-[4-(trifluoromethyl)phenyl]pyridin-2-yl]methyl]-1-phenylethanamine
CID 45377715
(1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
CID 45377852
3-(3-chloro-4-fluorophenyl)-5-[1-[(2S)-pyrrolidin-2-yl]ethoxy]pyridine
CID 53756182
Methyl 6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboximidate
CID 57657724
C-[5-(3'-Chloro-2-fluoro-6-methoxy-biphenyl-3-ylmethyl)-pyridin-2-yl]-methylamine
CID 57703719

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine (CID 75112907) is 1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine is COc1ccc(CNC(C)c2cccc(Cl)c2)nc1-c1cccc(F)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine?
The InChIKey is BVTLNLPITBOQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O/c1-14(15-5-3-7-17(22)11-15)24-13-19-9-10-20(26-2)21(25-19)16-6-4-8-18(23)12-16/h3-12,14,24H,13H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine?
1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine has a molecular weight of 370.86 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 75112907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).