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

C15H16Cl2N2O — CID 65125443

IUPACN-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(OCc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-2-18-9-14-13(17)7-8-15(19-14)20-10-11-3-5-12(16)6-4-11/h3-8,18H,2,9-10H2,1H3
InChIKeyXQRIEOKJCQIGDK-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.08
Rot. Bonds6

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

N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine (PubChem CID 65125443) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
PubChem CID65125443
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC NameN-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(OCc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C15H16Cl2N2O/c1-2-18-9-14-13(17)7-8-15(19-14)20-10-11-3-5-12(16)6-4-11/h3-8,18H,2,9-10H2,1H3
InChIKeyXQRIEOKJCQIGDK-UHFFFAOYSA-N
XLogP4.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methanol
CID 65126484
N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125152
N-[[3-chloro-6-(2-methylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 62290312
N-[(3-chloro-6-octoxy-2-pyridinyl)methyl]ethanamine
CID 63488462
N-[[3-chloro-6-(2-ethoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 62291916
N-[[3-chloro-6-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 62292539
N-[[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]ethanamine
CID 62291644
[3-chloro-6-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256973
1-[3-chloro-6-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125729
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
N-[[3-chloro-6-(4-chlorophenoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62296779
N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55058553

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine (CID 65125443) is N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine is CCNCc1nc(OCc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
The InChIKey is XQRIEOKJCQIGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-2-18-9-14-13(17)7-8-15(19-14)20-10-11-3-5-12(16)6-4-11/h3-8,18H,2,9-10H2,1H3.
What are the key properties of N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine?
N-[[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine has a molecular weight of 311.21 g/mol, XLogP of 4.08, 6 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-chlorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 65125443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).