N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine

C15H16F2N2O — CID 105402630

IUPACN-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C15H16F2N2O/c1-2-18-8-14-3-4-15(9-19-14)20-10-11-5-12(16)7-13(17)6-11/h3-7,9,18H,2,8,10H2,1H3
InChIKeyPMQQDZZUOKPHRK-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.05
Rot. Bonds6

About N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine

N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine (PubChem CID 105402630) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
PubChem CID105402630
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C15H16F2N2O/c1-2-18-8-14-3-4-15(9-19-14)20-10-11-5-12(16)7-13(17)6-11/h3-7,9,18H,2,8,10H2,1H3
InChIKeyPMQQDZZUOKPHRK-UHFFFAOYSA-N
XLogP3.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 105402628
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 105402634
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775715
N-[[5-(2-fluoroethoxy)-2-pyridinyl]methyl]ethanamine
CID 80700229
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
2-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]-N,N-dimethylethanamine
CID 79776683
N-[[5-[(4-fluoro-2-methylphenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 114345815
N-[[5-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782260
N-[[5-[(5-bromo-2-methoxyphenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79782055
N-[[5-[(3,4-dichlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79781676

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine (CID 105402630) is N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine is CCNCc1ccc(OCc2cc(F)cc(F)c2)cn1.
What is the InChIKey of N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The InChIKey is PMQQDZZUOKPHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-2-18-8-14-3-4-15(9-19-14)20-10-11-5-12(16)7-13(17)6-11/h3-7,9,18H,2,8,10H2,1H3.
What are the key properties of N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine has a molecular weight of 278.30 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 105402630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).