1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine

C15H17ClN2O — CID 114928464

IUPAC1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCCc1ccccc1Oc1cc(CNC)c(Cl)cn1
InChIInChI=1S/C15H17ClN2O/c1-3-11-6-4-5-7-14(11)19-15-8-12(9-17-2)13(16)10-18-15/h4-8,10,17H,3,9H2,1-2H3
InChIKeyCUBFUUPQIPYNNP-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.81
Rot. Bonds5

About 1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine

1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine (PubChem CID 114928464) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
PubChem CID114928464
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine
SMILESCCc1ccccc1Oc1cc(CNC)c(Cl)cn1
InChIInChI=1S/C15H17ClN2O/c1-3-11-6-4-5-7-14(11)19-15-8-12(9-17-2)13(16)10-18-15/h4-8,10,17H,3,9H2,1-2H3
InChIKeyCUBFUUPQIPYNNP-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-[5-chloro-2-(2,3-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928078
1-[5-chloro-2-(2,3-difluorophenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928630
1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928615
1-[5-chloro-2-[(2-chlorophenyl)methoxy]-4-pyridinyl]-N-methylmethanamine
CID 114927670
1-[2-(5-bromo-2-chlorophenoxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114928707
1-[2-[(5-chloro-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485445
1-[2-(2-ethylphenoxy)phenyl]-N-methylmethanamine
CID 43283795
1-(5-chloro-2-pyridin-3-yloxy-4-pyridinyl)-N-methylmethanamine
CID 114927918
1-[5-chloro-2-(4-methoxyphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928337
1-[5-chloro-2-(3-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928186
N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928120
N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928202

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine (CID 114928464) is 1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine is CCc1ccccc1Oc1cc(CNC)c(Cl)cn1.
What is the InChIKey of 1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine?
The InChIKey is CUBFUUPQIPYNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-3-11-6-4-5-7-14(11)19-15-8-12(9-17-2)13(16)10-18-15/h4-8,10,17H,3,9H2,1-2H3.
What are the key properties of 1-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine?
1-[5-chloro-2-(2-ethylphenoxy)-4-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-[5-chloro-2-(2-ethylphenoxy)-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114928464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).