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

C21H20ClFN2O — CID 45377852

IUPAC(1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
SMILESCOc1ccc(CN[C@H](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/t14-/m1/s1
InChIKeyBVTLNLPITBOQOK-CQSZACIVSA-N
MW370.86 g/mol
LogP5.40
Rot. Bonds6

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

(1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine (PubChem CID 45377852) has the molecular formula C21H20ClFN2O and a molecular weight of 370.86 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
PubChem CID45377852
Molecular FormulaC21H20ClFN2O
Molecular Weight370.86 g/mol
Exact Mass370.12
IUPAC Name(1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine
SMILESCOc1ccc(CN[C@H](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/t14-/m1/s1
InChIKeyBVTLNLPITBOQOK-CQSZACIVSA-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

(1R)-N-[(5-chloro-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81368416
1-(3-chlorophenyl)-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 63986667
(1S)-1-(3-chlorophenyl)-N-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 9307623
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
(1R)-1-(3-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791968
(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 28649455
4-chloro-2-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]-6-methoxyphenol
CID 104663938
(1S)-1-(3-fluorophenyl)-N-(quinolin-2-ylmethyl)ethanamine
CID 81353377
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
CID 61033591
1-(3-fluorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43233112

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine (CID 45377852) is (1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine is COc1ccc(CN[C@H](C)c2cccc(Cl)c2)nc1-c1cccc(F)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine?
The InChIKey is BVTLNLPITBOQOK-CQSZACIVSA-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/t14-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine?
(1R)-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 (1R)-1-(3-chlorophenyl)-N-[[6-(3-fluorophenyl)-5-methoxy-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 45377852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).