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

C16H19ClN2O — CID 79151507

IUPACN-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(C)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-3-18-10-15-16(8-7-12(2)19-15)20-11-13-5-4-6-14(17)9-13/h4-9,18H,3,10-11H2,1-2H3
InChIKeyJAYPICDAQKWRCP-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.73
Rot. Bonds6

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

N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine (PubChem CID 79151507) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
PubChem CID79151507
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1nc(C)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-3-18-10-15-16(8-7-12(2)19-15)20-11-13-5-4-6-14(17)9-13/h4-9,18H,3,10-11H2,1-2H3
InChIKeyJAYPICDAQKWRCP-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(3-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151447
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151204
N-[[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499398
N-[[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150991
N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150512
N-[[6-methyl-3-(3-phenylpropoxy)-2-pyridinyl]methyl]ethanamine
CID 79157323
N-[[6-methyl-3-[(3-methylphenyl)methoxy]-2-pyridinyl]methyl]cyclopropanamine
CID 79158616
N-[[3-[(5-bromo-2-fluorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79157307
N-[[3-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine
CID 79151442
N-[[2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125486
[3-[(3-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79158554
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine (CID 79151507) is N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine is CCNCc1nc(C)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine?
The InChIKey is JAYPICDAQKWRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-3-18-10-15-16(8-7-12(2)19-15)20-11-13-5-4-6-14(17)9-13/h4-9,18H,3,10-11H2,1-2H3.
What are the key properties of N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine?
N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine has a molecular weight of 290.79 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-chlorophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79151507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).