2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol

C15H25NO — CID 115133367

IUPAC2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol
SMILESCc1cc(C)c(C)c(CNC(C)(C)CO)c1C
InChIInChI=1S/C15H25NO/c1-10-7-11(2)13(4)14(12(10)3)8-16-15(5,6)9-17/h7,16-17H,8-9H2,1-6H3
InChIKeyRELFMICQQQLPCZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.78
Rot. Bonds4

About 2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol

2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol (PubChem CID 115133367) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol
PubChem CID115133367
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol
SMILESCc1cc(C)c(C)c(CNC(C)(C)CO)c1C
InChIInChI=1S/C15H25NO/c1-10-7-11(2)13(4)14(12(10)3)8-16-15(5,6)9-17/h7,16-17H,8-9H2,1-6H3
InChIKeyRELFMICQQQLPCZ-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol (CID 115133367) is 2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol is Cc1cc(C)c(C)c(CNC(C)(C)CO)c1C.
What is the InChIKey of 2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol?
The InChIKey is RELFMICQQQLPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-10-7-11(2)13(4)14(12(10)3)8-16-15(5,6)9-17/h7,16-17H,8-9H2,1-6H3.
What are the key properties of 2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol?
2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,3,5,6-tetramethylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 115133367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).