1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine

C16H19ClN2O — CID 80639516

IUPAC1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1ccc(Oc2ncc(CC(C)N)cc2C)c(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-10-4-5-15(14(17)6-10)20-16-11(2)7-13(9-19-16)8-12(3)18/h4-7,9,12H,8,18H2,1-3H3
InChIKeyUDDSTXZUWLOGTD-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.03
Rot. Bonds4

About 1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine

1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine (PubChem CID 80639516) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
PubChem CID80639516
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1ccc(Oc2ncc(CC(C)N)cc2C)c(Cl)c1
InChIInChI=1S/C16H19ClN2O/c1-10-4-5-15(14(17)6-10)20-16-11(2)7-13(9-19-16)8-12(3)18/h4-7,9,12H,8,18H2,1-3H3
InChIKeyUDDSTXZUWLOGTD-UHFFFAOYSA-N
XLogP4.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80639335
1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639988
1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80640430
5-(chloromethyl)-2-(2-chloro-5-methylphenoxy)-3-methylpyridine
CID 80628031
1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 107171083
1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
CID 80626845
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640339
2-[6-(2,4-dimethylphenoxy)-5-methyl-3-pyridinyl]ethanamine
CID 80640333
1-[3-methyl-4-(2,4,5-trichlorophenoxy)phenyl]propan-2-amine
CID 63816275
5-bromo-3-chloro-2-(2-chloro-4-methylphenoxy)pyridine
CID 103583695
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine
CID 81166108
1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80639510

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine (CID 80639516) is 1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine is Cc1ccc(Oc2ncc(CC(C)N)cc2C)c(Cl)c1.
What is the InChIKey of 1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
The InChIKey is UDDSTXZUWLOGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-10-4-5-15(14(17)6-10)20-16-11(2)7-13(9-19-16)8-12(3)18/h4-7,9,12H,8,18H2,1-3H3.
What are the key properties of 1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine has a molecular weight of 290.79 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80639516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).