1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine

C15H17ClN2O — CID 62298099

IUPAC1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCCc1cccc(Oc2ccc(Cl)c(CNC)n2)c1
InChIInChI=1S/C15H17ClN2O/c1-3-11-5-4-6-12(9-11)19-15-8-7-13(16)14(18-15)10-17-2/h4-9,17H,3,10H2,1-2H3
InChIKeyVRDJWKUMFNEUHD-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.81
Rot. Bonds5

About 1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine

1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine (PubChem CID 62298099) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
PubChem CID62298099
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine
SMILESCCc1cccc(Oc2ccc(Cl)c(CNC)n2)c1
InChIInChI=1S/C15H17ClN2O/c1-3-11-5-4-6-12(9-11)19-15-8-7-13(16)14(18-15)10-17-2/h4-9,17H,3,10H2,1-2H3
InChIKeyVRDJWKUMFNEUHD-UHFFFAOYSA-N
XLogP3.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-chloro-6-(3,5-dimethoxyphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62297032
1-[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62323650
N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295705
1-[6-(4-butylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 115493229
1-[3-chloro-6-[(3-chlorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 65125729
1-(3-chloro-6-naphthalen-1-yloxy-2-pyridinyl)-N-methylmethanamine
CID 62322004
N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323575
1-[3-chloro-6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]-N-methylmethanamine
CID 62287891
1-[3-chloro-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]-N-methylmethanamine
CID 62291643
N-[[6-(3-bromophenoxy)-3-chloro-2-pyridinyl]methyl]propan-2-amine
CID 62321632
3-(chloromethyl)-6-(3-ethylphenoxy)pyridazine
CID 61270085
N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62298097

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine (CID 62298099) is 1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine is CCc1cccc(Oc2ccc(Cl)c(CNC)n2)c1.
What is the InChIKey of 1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine?
The InChIKey is VRDJWKUMFNEUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-11-5-4-6-12(9-11)19-15-8-7-13(16)14(18-15)10-17-2/h4-9,17H,3,10H2,1-2H3.
What are the key properties of 1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine?
1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-6-(3-ethylphenoxy)-2-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62298099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).