1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

C17H24N2OS — CID 119107400

About 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 119107400) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
• PubChem CID: 119107400
• Molecular Formula: C17H24N2OS
• Molecular Weight: 304.46 g/mol
• Exact Mass: 304.16
• IUPAC Name: 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
• SMILES: Cc1ncc(CNCc2cccc(COC(C)(C)C)c2)s1
• InChI: InChI=1S/C17H24N2OS/c1-13-19-11-16(21-13)10-18-9-14-6-5-7-15(8-14)12-20-17(2,3)4/h5-8,11,18H,9-10,12H2,1-4H3
• InChIKey: UBULUGQCKBCCKB-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 34.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.46
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?

The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 119107400) is 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine.

What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?

The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncc(CNCc2cccc(COC(C)(C)C)c2)s1.

What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?

The InChIKey is UBULUGQCKBCCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13-19-11-16(21-13)10-18-9-14-6-5-7-15(8-14)12-20-17(2,3)4/h5-8,11,18H,9-10,12H2,1-4H3.

What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine?

1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 304.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 119107400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).