6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine

C17H22N2O — CID 118445576

IUPAC6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine
SMILESCc1cc(OC(C)(C)C)ccc1-c1ccc(N)nc1C
InChIInChI=1S/C17H22N2O/c1-11-10-13(20-17(3,4)5)6-7-14(11)15-8-9-16(18)19-12(15)2/h6-10H,1-5H3,(H2,18,19)
InChIKeyVXHKSVQKBJSHCL-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.12
Rot. Bonds2

About 6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine

6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine (PubChem CID 118445576) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine
PubChem CID118445576
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine
SMILESCc1cc(OC(C)(C)C)ccc1-c1ccc(N)nc1C
InChIInChI=1S/C17H22N2O/c1-11-10-13(20-17(3,4)5)6-7-14(11)15-8-9-16(18)19-12(15)2/h6-10H,1-5H3,(H2,18,19)
InChIKeyVXHKSVQKBJSHCL-UHFFFAOYSA-N
XLogP4.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine?
The IUPAC name of 6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine (CID 118445576) is 6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine is Cc1cc(OC(C)(C)C)ccc1-c1ccc(N)nc1C.
What is the InChIKey of 6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine?
The InChIKey is VXHKSVQKBJSHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-10-13(20-17(3,4)5)6-7-14(11)15-8-9-16(18)19-12(15)2/h6-10H,1-5H3,(H2,18,19).
What are the key properties of 6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine?
6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine has a molecular weight of 270.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]pyridin-2-amine is sourced from PubChem (CID 118445576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).