6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine

C16H19ClN2O — CID 80875365

IUPAC6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Oc2cc(C)c(Cl)c(C)c2)n1
InChIInChI=1S/C16H19ClN2O/c1-4-8-18-14-6-5-7-15(19-14)20-13-9-11(2)16(17)12(3)10-13/h5-7,9-10H,4,8H2,1-3H3,(H,18,19)
InChIKeyYRHHDZAIGZMXKV-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.97
Rot. Bonds5

About 6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine

6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine (PubChem CID 80875365) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine
PubChem CID80875365
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine
SMILESCCCNc1cccc(Oc2cc(C)c(Cl)c(C)c2)n1
InChIInChI=1S/C16H19ClN2O/c1-4-8-18-14-6-5-7-15(19-14)20-13-9-11(2)16(17)12(3)10-13/h5-7,9-10H,4,8H2,1-3H3,(H,18,19)
InChIKeyYRHHDZAIGZMXKV-UHFFFAOYSA-N
XLogP4.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methylphenoxy)-N-propylpyridin-2-amine
CID 80869779
[6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]hydrazine
CID 80916249
6-(3-bromo-5-fluorophenoxy)-N-propylpyridin-2-amine
CID 81325494
6-(4-bromo-3,5-dimethylphenoxy)-N-ethylpyridin-2-amine
CID 107727278
6-[3-(dimethylamino)phenoxy]-N-propylpyridin-2-amine
CID 80871143
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 80866499
6-(2-chloro-4-fluorophenoxy)-N-propylpyridin-2-amine
CID 80867556
6-(3,4-dichlorophenoxy)-N-ethylpyridin-2-amine
CID 80874477
6-[(2-methylpropan-2-yl)oxy]-N-propylpyridin-2-amine
CID 80861017
N-propyl-6-prop-2-ynoxypyridin-2-amine
CID 80861470
N-propyl-6-quinolin-8-yloxypyridin-2-amine
CID 80874687
6-(4-bromo-2-propan-2-ylphenoxy)-N-propylpyridin-2-amine
CID 115403081

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine?
The IUPAC name of 6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine (CID 80875365) is 6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine.
What is the SMILES notation for 6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine?
The canonical SMILES for 6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine is CCCNc1cccc(Oc2cc(C)c(Cl)c(C)c2)n1.
What is the InChIKey of 6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine?
The InChIKey is YRHHDZAIGZMXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-4-8-18-14-6-5-7-15(19-14)20-13-9-11(2)16(17)12(3)10-13/h5-7,9-10H,4,8H2,1-3H3,(H,18,19).
What are the key properties of 6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine?
6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine has a molecular weight of 290.79 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3,5-dimethylphenoxy)-N-propylpyridin-2-amine is sourced from PubChem (CID 80875365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).