N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine

C14H14ClFN2O — CID 55058553

IUPACN-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(Oc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C14H14ClFN2O/c1-2-17-9-13-12(15)7-8-14(18-13)19-11-5-3-10(16)4-6-11/h3-8,17H,2,9H2,1H3
InChIKeyVCGISZBAZWRWDL-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.78
Rot. Bonds5

About N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine

N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 55058553) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID55058553
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC NameN-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(Oc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C14H14ClFN2O/c1-2-17-9-13-12(15)7-8-14(18-13)19-11-5-3-10(16)4-6-11/h3-8,17H,2,9H2,1H3
InChIKeyVCGISZBAZWRWDL-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine
CID 81325689
N-[[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 63487984
N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296779
N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295705
N-[[3-chloro-6-(4-methylphenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62298286
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
CID 62291644
N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 62290312
N-[[3-chloro-6-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 62292539
1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine
CID 62287891
N-[(3-chloro-6-octoxy-2-pyridinyl)methyl]ethanamine
CID 63488462
N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 62291916

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine (CID 55058553) is N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1nc(Oc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is VCGISZBAZWRWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-2-17-9-13-12(15)7-8-14(18-13)19-11-5-3-10(16)4-6-11/h3-8,17H,2,9H2,1H3.
What are the key properties of N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine?
N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 280.73 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 55058553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).