N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine

C15H16ClFN2O — CID 79775545

IUPACN-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C15H16ClFN2O/c1-2-18-8-13-5-6-14(9-19-13)20-10-11-3-4-12(17)7-15(11)16/h3-7,9,18H,2,8,10H2,1H3
InChIKeyLBMUURJIYPLFTI-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.56
Rot. Bonds6

About N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine

N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine (PubChem CID 79775545) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
PubChem CID79775545
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2ccc(F)cc2Cl)cn1
InChIInChI=1S/C15H16ClFN2O/c1-2-18-8-13-5-6-14(9-19-13)20-10-11-3-4-12(17)7-15(11)16/h3-7,9,18H,2,8,10H2,1H3
InChIKeyLBMUURJIYPLFTI-UHFFFAOYSA-N
XLogP3.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine (CID 79775545) is N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine is CCNCc1ccc(OCc2ccc(F)cc2Cl)cn1.
What is the InChIKey of N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The InChIKey is LBMUURJIYPLFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-18-8-13-5-6-14(9-19-13)20-10-11-3-4-12(17)7-15(11)16/h3-7,9,18H,2,8,10H2,1H3.
What are the key properties of N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine has a molecular weight of 294.76 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-chloro-4-fluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79775545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).