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

C17H21ClN2O — CID 83111420

IUPACN-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2cc(C)ccc2Cl)cn1
InChIInChI=1S/C17H21ClN2O/c1-4-9-19-13(3)16-8-6-14(11-20-16)21-17-10-12(2)5-7-15(17)18/h5-8,10-11,13,19H,4,9H2,1-3H3
InChIKeyWIWGWUHCCWLWPL-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.90
Rot. Bonds6

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

N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83111420) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83111420
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(Oc2cc(C)ccc2Cl)cn1
InChIInChI=1S/C17H21ClN2O/c1-4-9-19-13(3)16-8-6-14(11-20-16)21-17-10-12(2)5-7-15(17)18/h5-8,10-11,13,19H,4,9H2,1-3H3
InChIKeyWIWGWUHCCWLWPL-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

1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]-N-ethylpropan-1-amine
CID 115940035
1-[5-(4-bromo-2,5-dichlorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 107658714
N-[1-[5-(2-methylsulfanylphenoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83111227
N-[1-[3-chloro-4-(4-methylphenoxy)phenyl]ethyl]propan-1-amine
CID 63533466
N-ethyl-1-[5-(4-methylphenoxy)-2-pyridinyl]ethanamine
CID 83128001
N-ethyl-1-[5-(5-fluoro-2-methylphenoxy)-2-pyridinyl]ethanamine
CID 102982283
1-[5-(3-chloro-4-fluorophenoxy)-2-pyridinyl]-N-ethylethanamine
CID 83124110
3-[[6-[1-(propylamino)ethyl]-3-pyridinyl]oxy]propan-1-ol
CID 83124172
1-[5-(2-chloro-5-nitrophenoxy)-2-pyridinyl]-N-methylethanamine
CID 83111430
1-[5-(2,4,5-trichlorophenoxy)-2-pyridinyl]ethanamine
CID 83127680
N-ethyl-1-[5-(3-fluoro-4-methylphenoxy)-2-pyridinyl]ethanamine
CID 107169528
N-ethyl-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83111971

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine (CID 83111420) is N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(Oc2cc(C)ccc2Cl)cn1.
What is the InChIKey of N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is WIWGWUHCCWLWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-4-9-19-13(3)16-8-6-14(11-20-16)21-17-10-12(2)5-7-15(17)18/h5-8,10-11,13,19H,4,9H2,1-3H3.
What are the key properties of N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-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 N-[1-[5-(2-chloro-5-methylphenoxy)-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83111420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).