1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine

C16H18Cl2N2O — CID 80626845

IUPAC1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(Oc2cccc(Cl)c2Cl)c(C)c1
InChIInChI=1S/C16H18Cl2N2O/c1-3-12(19)8-11-7-10(2)16(20-9-11)21-14-6-4-5-13(17)15(14)18/h4-7,9,12H,3,8,19H2,1-2H3
InChIKeyCKCNICPRDHEQOE-UHFFFAOYSA-N
MW325.24 g/mol
LogP4.77
Rot. Bonds5

About 1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine

1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine (PubChem CID 80626845) has the molecular formula C16H18Cl2N2O and a molecular weight of 325.24 g/mol. Its IUPAC name is 1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine.

Molecular Properties

Compound Name1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
PubChem CID80626845
Molecular FormulaC16H18Cl2N2O
Molecular Weight325.24 g/mol
Exact Mass324.08
IUPAC Name1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
SMILESCCC(N)Cc1cnc(Oc2cccc(Cl)c2Cl)c(C)c1
InChIInChI=1S/C16H18Cl2N2O/c1-3-12(19)8-11-7-10(2)16(20-9-11)21-14-6-4-5-13(17)15(14)18/h4-7,9,12H,3,8,19H2,1-2H3
InChIKeyCKCNICPRDHEQOE-UHFFFAOYSA-N
XLogP4.77
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methanol
CID 80629406
N-[[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80635568
1-[6-(4-bromo-2-fluorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine
CID 80627504
1-[6-(2-chloro-4-methylphenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639516
1-[3-(2-chlorophenoxy)phenyl]butan-2-amine
CID 63941363
1-[6-(4-chlorophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80640430
N-[[6-(3-chloro-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 116689576
1-(2-chloro-6-pyridin-3-yloxyphenyl)butan-2-amine
CID 63815743
(1R)-1-[5-(2,3-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937652
1-[5-(2-fluoro-3-methylphenoxy)-3-pyridinyl]butan-2-amine
CID 107661741
3-bromo-2-(2,3-dichlorophenoxy)-5-methylpyridine
CID 105368244
1-[6-(2,4-dibromophenoxy)-5-methyl-3-pyridinyl]propan-2-amine
CID 80639988

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine?
The IUPAC name of 1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine (CID 80626845) is 1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine.
What is the SMILES notation for 1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine?
The canonical SMILES for 1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine is CCC(N)Cc1cnc(Oc2cccc(Cl)c2Cl)c(C)c1.
What is the InChIKey of 1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine?
The InChIKey is CKCNICPRDHEQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O/c1-3-12(19)8-11-7-10(2)16(20-9-11)21-14-6-4-5-13(17)15(14)18/h4-7,9,12H,3,8,19H2,1-2H3.
What are the key properties of 1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine?
1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine has a molecular weight of 325.24 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dichlorophenoxy)-5-methyl-3-pyridinyl]butan-2-amine is sourced from PubChem (CID 80626845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).