2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine

C20H27ClN2O — CID 10405373

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine
SMILESCCC(CC)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C
InChIInChI=1S/C20H27ClN2O/c1-7-17(8-2)23-18-11-14(5)22-20(15(18)6)24-19-12(3)9-16(21)10-13(19)4/h9-11,17H,7-8H2,1-6H3,(H,22,23)
InChIKeyGATYVUUKXLTIJT-UHFFFAOYSA-N
MW346.90 g/mol
LogP6.36
Rot. Bonds6

About 2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine

2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine (PubChem CID 10405373) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine
PubChem CID10405373
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine
SMILESCCC(CC)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C
InChIInChI=1S/C20H27ClN2O/c1-7-17(8-2)23-18-11-14(5)22-20(15(18)6)24-19-12(3)9-16(21)10-13(19)4/h9-11,17H,7-8H2,1-6H3,(H,22,23)
InChIKeyGATYVUUKXLTIJT-UHFFFAOYSA-N
XLogP6.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.90
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine (CID 10405373) is 2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine is CCC(CC)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine?
The InChIKey is GATYVUUKXLTIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O/c1-7-17(8-2)23-18-11-14(5)22-20(15(18)6)24-19-12(3)9-16(21)10-13(19)4/h9-11,17H,7-8H2,1-6H3,(H,22,23).
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine?
2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine has a molecular weight of 346.90 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,6-dimethylphenoxy)-3,6-dimethyl-N-pentan-3-ylpyridin-4-amine is sourced from PubChem (CID 10405373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).