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

C20H17Cl2FN2 — CID 45377713

IUPAC(1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Cl)c(-c2cccc(F)c2)n1)c1cccc(Cl)c1
InChIInChI=1S/C20H17Cl2FN2/c1-13(14-4-2-6-16(21)10-14)24-12-18-8-9-19(22)20(25-18)15-5-3-7-17(23)11-15/h2-11,13,24H,12H2,1H3/t13-/m1/s1
InChIKeyZEIWTRXAGKXMJM-CYBMUJFWSA-N
MW375.27 g/mol
LogP6.05
Rot. Bonds5

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

(1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine (PubChem CID 45377713) has the molecular formula C20H17Cl2FN2 and a molecular weight of 375.27 g/mol. Its IUPAC name is (1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine
PubChem CID45377713
Molecular FormulaC20H17Cl2FN2
Molecular Weight375.27 g/mol
Exact Mass374.08
IUPAC Name(1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(Cl)c(-c2cccc(F)c2)n1)c1cccc(Cl)c1
InChIInChI=1S/C20H17Cl2FN2/c1-13(14-4-2-6-16(21)10-14)24-12-18-8-9-19(22)20(25-18)15-5-3-7-17(23)11-15/h2-11,13,24H,12H2,1H3/t13-/m1/s1
InChIKeyZEIWTRXAGKXMJM-CYBMUJFWSA-N
XLogP6.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.27
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine?
The IUPAC name of (1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine (CID 45377713) is (1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine is C[C@@H](NCc1ccc(Cl)c(-c2cccc(F)c2)n1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine?
The InChIKey is ZEIWTRXAGKXMJM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H17Cl2FN2/c1-13(14-4-2-6-16(21)10-14)24-12-18-8-9-19(22)20(25-18)15-5-3-7-17(23)11-15/h2-11,13,24H,12H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine?
(1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine has a molecular weight of 375.27 g/mol, XLogP of 6.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[5-chloro-6-(3-fluorophenyl)-2-pyridinyl]methyl]-1-(3-chlorophenyl)ethanamine is sourced from PubChem (CID 45377713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).