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

C15H17ClN2O — CID 80640430

IUPAC1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-10-7-12(8-11(2)17)9-18-15(10)19-14-5-3-13(16)4-6-14/h3-7,9,11H,8,17H2,1-2H3
InChIKeyZZFVEZYMAWKUCH-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.73
Rot. Bonds4

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

1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine (PubChem CID 80640430) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
PubChem CID80640430
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
SMILESCc1cc(CC(C)N)cnc1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H17ClN2O/c1-10-7-12(8-11(2)17)9-18-15(10)19-14-5-3-13(16)4-6-14/h3-7,9,11H,8,17H2,1-2H3
InChIKeyZZFVEZYMAWKUCH-UHFFFAOYSA-N
XLogP3.73
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(3-fluoro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 107171083
[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methanamine
CID 80636134
N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]propan-2-amine
CID 80635290
1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639516
1-[4-[4-(4-chlorophenoxy)phenoxy]phenyl]propan-2-amine
CID 143625777
1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639988
N-[[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]methyl]cyclopropanamine
CID 80636342
N-methyl-1-[5-methyl-6-(4-propan-2-ylphenoxy)-3-pyridinyl]methanamine
CID 80635782
1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
CID 80626845
1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80639510
1-[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80640424
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine (CID 80640430) is 1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine is Cc1cc(CC(C)N)cnc1Oc1ccc(Cl)cc1.
What is the InChIKey of 1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
The InChIKey is ZZFVEZYMAWKUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-7-12(8-11(2)17)9-18-15(10)19-14-5-3-13(16)4-6-14/h3-7,9,11H,8,17H2,1-2H3.
What are the key properties of 1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine?
1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine has a molecular weight of 276.77 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80640430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).