1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine

C17H21ClN2O — CID 62321886

IUPAC1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
SMILESCCc1cc(Oc2nc(C)cc(C)c2CNC)ccc1Cl
InChIInChI=1S/C17H21ClN2O/c1-5-13-9-14(6-7-16(13)18)21-17-15(10-19-4)11(2)8-12(3)20-17/h6-9,19H,5,10H2,1-4H3
InChIKeyMQXZQUIDTQULRK-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.43
Rot. Bonds5

About 1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine

1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 62321886) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
PubChem CID62321886
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
SMILESCCc1cc(Oc2nc(C)cc(C)c2CNC)ccc1Cl
InChIInChI=1S/C17H21ClN2O/c1-5-13-9-14(6-7-16(13)18)21-17-15(10-19-4)11(2)8-12(3)20-17/h6-9,19H,5,10H2,1-4H3
InChIKeyMQXZQUIDTQULRK-UHFFFAOYSA-N
XLogP4.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62296968
1-[2-(4-bromo-3-methylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 83135139
1-[2-(3-ethoxyphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62335805
1-[2-(3-bromo-4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 83234904
1-[2-(3,5-difluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62783602
N-[[2-(4-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296113
N-[[2-(3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296699
1-[2-(3-bromo-5-fluorophenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 81326308
1-[2-[(4-methoxyphenyl)methoxy]-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62291859
N-[[2-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62323648
4-(4-chloro-3-ethylphenoxy)-5-methyl-N-propylpyrimidin-2-amine
CID 80875373
3-(chloromethyl)-2-(3,4-dimethylphenoxy)-4,6-dimethylpyridine
CID 55200335

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine (CID 62321886) is 1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine is CCc1cc(Oc2nc(C)cc(C)c2CNC)ccc1Cl.
What is the InChIKey of 1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is MQXZQUIDTQULRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-5-13-9-14(6-7-16(13)18)21-17-15(10-19-4)11(2)8-12(3)20-17/h6-9,19H,5,10H2,1-4H3.
What are the key properties of 1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine?
1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 304.82 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 62321886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).