6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine

C15H17ClN2O — CID 115474420

IUPAC6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
SMILESCc1cc(Oc2nc(Cl)ccc2N)ccc1C(C)C
InChIInChI=1S/C15H17ClN2O/c1-9(2)12-5-4-11(8-10(12)3)19-15-13(17)6-7-14(16)18-15/h4-9H,17H2,1-3H3
InChIKeyIIEGMLHXGRTJDH-UHFFFAOYSA-N
MW276.77 g/mol
LogP4.54
Rot. Bonds3

About 6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine

6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine (PubChem CID 115474420) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
PubChem CID115474420
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
SMILESCc1cc(Oc2nc(Cl)ccc2N)ccc1C(C)C
InChIInChI=1S/C15H17ClN2O/c1-9(2)12-5-4-11(8-10(12)3)19-15-13(17)6-7-14(16)18-15/h4-9H,17H2,1-3H3
InChIKeyIIEGMLHXGRTJDH-UHFFFAOYSA-N
XLogP4.54
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)aniline
CID 115469223
5-methyl-4-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80863693
6-chloro-2-(2-methyl-5-propan-2-ylphenoxy)pyridin-3-amine
CID 115474511
3-chloro-4-(3-methyl-4-propan-2-ylphenoxy)-1,2,5-thiadiazole
CID 63506599
4-chloro-5-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 63736409
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole
CID 83153578
5-bromo-3-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 103583561
6-chloro-2-[(5-chloro-3-pyridinyl)oxy]pyridin-3-amine
CID 115474542
5-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-4-amine
CID 83265567
2-amino-5-(3-methyl-4-propan-2-ylphenoxy)benzonitrile
CID 115499738
5-chloro-3-fluoro-2-(3-methyl-4-propan-2-ylphenoxy)pyridine
CID 79727500
5-amino-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-3-carbonitrile
CID 103469460

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine?
The IUPAC name of 6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine (CID 115474420) is 6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine is Cc1cc(Oc2nc(Cl)ccc2N)ccc1C(C)C.
What is the InChIKey of 6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine?
The InChIKey is IIEGMLHXGRTJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-9(2)12-5-4-11(8-10(12)3)19-15-13(17)6-7-14(16)18-15/h4-9H,17H2,1-3H3.
What are the key properties of 6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine?
6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine has a molecular weight of 276.77 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine is sourced from PubChem (CID 115474420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).