N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine

C20H18ClFN2O — CID 4720973

IUPACN-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine
SMILESFc1ccc(COc2ccc(Cl)cc2CNCc2ccccn2)cc1
InChIInChI=1S/C20H18ClFN2O/c21-17-6-9-20(25-14-15-4-7-18(22)8-5-15)16(11-17)12-23-13-19-3-1-2-10-24-19/h1-11,23H,12-14H2
InChIKeyGSTPLMUUCVCSSI-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.74
Rot. Bonds7

About N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine

N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine (PubChem CID 4720973) has the molecular formula C20H18ClFN2O and a molecular weight of 356.83 g/mol. Its IUPAC name is N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine
PubChem CID4720973
Molecular FormulaC20H18ClFN2O
Molecular Weight356.83 g/mol
Exact Mass356.11
IUPAC NameN-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine
SMILESFc1ccc(COc2ccc(Cl)cc2CNCc2ccccn2)cc1
InChIInChI=1S/C20H18ClFN2O/c21-17-6-9-20(25-14-15-4-7-18(22)8-5-15)16(11-17)12-23-13-19-3-1-2-10-24-19/h1-11,23H,12-14H2
InChIKeyGSTPLMUUCVCSSI-UHFFFAOYSA-N
XLogP4.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine (CID 4720973) is N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine is Fc1ccc(COc2ccc(Cl)cc2CNCc2ccccn2)cc1.
What is the InChIKey of N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is GSTPLMUUCVCSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O/c21-17-6-9-20(25-14-15-4-7-18(22)8-5-15)16(11-17)12-23-13-19-3-1-2-10-24-19/h1-11,23H,12-14H2.
What are the key properties of N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine?
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 356.83 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 4720973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).