1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine

C17H21ClN2O — CID 115940035

IUPAC1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(Oc2cc(C)ccc2Cl)cn1
InChIInChI=1S/C17H21ClN2O/c1-4-15(19-5-2)16-9-7-13(11-20-16)21-17-10-12(3)6-8-14(17)18/h6-11,15,19H,4-5H2,1-3H3
InChIKeyHLFWQXDSSAKHDG-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.90
Rot. Bonds6

About 1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine

1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine (PubChem CID 115940035) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
PubChem CID115940035
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1ccc(Oc2cc(C)ccc2Cl)cn1
InChIInChI=1S/C17H21ClN2O/c1-4-15(19-5-2)16-9-7-13(11-20-16)21-17-10-12(3)6-8-14(17)18/h6-11,15,19H,4-5H2,1-3H3
InChIKeyHLFWQXDSSAKHDG-UHFFFAOYSA-N
XLogP4.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83111420
N-ethyl-1-[5-(2-methylphenoxy)-2-pyridinyl]propan-1-amine
CID 115939959
N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 115940101
1-[5-(5-bromo-2-fluorophenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 114673855
1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 107658714
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 115939974
1-[5-(2-methoxy-4-methylphenoxy)-2-pyridinyl]propan-1-ol
CID 115940517
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
CID 43283829
(1S)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937752
(1R)-1-[5-(5-methyl-2-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937751

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine (CID 115940035) is 1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine is CCNC(CC)c1ccc(Oc2cc(C)ccc2Cl)cn1.
What is the InChIKey of 1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine?
The InChIKey is HLFWQXDSSAKHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-4-15(19-5-2)16-9-7-13(11-20-16)21-17-10-12(3)6-8-14(17)18/h6-11,15,19H,4-5H2,1-3H3.
What are the key properties of 1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine?
1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine has a molecular weight of 304.82 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 115940035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).