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

C16H27NO — CID 115137003

IUPAC2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol
SMILESCc1cc(C)c(C)c(CN(C)CC(C)(C)O)c1C
InChIInChI=1S/C16H27NO/c1-11-8-12(2)14(4)15(13(11)3)9-17(7)10-16(5,6)18/h8,18H,9-10H2,1-7H3
InChIKeyCPBXGLKRVNTXOT-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.12
Rot. Bonds4

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

2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol (PubChem CID 115137003) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol
PubChem CID115137003
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol
SMILESCc1cc(C)c(C)c(CN(C)CC(C)(C)O)c1C
InChIInChI=1S/C16H27NO/c1-11-8-12(2)14(4)15(13(11)3)9-17(7)10-16(5,6)18/h8,18H,9-10H2,1-7H3
InChIKeyCPBXGLKRVNTXOT-UHFFFAOYSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol (CID 115137003) is 2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol is Cc1cc(C)c(C)c(CN(C)CC(C)(C)O)c1C.
What is the InChIKey of 2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol?
The InChIKey is CPBXGLKRVNTXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11-8-12(2)14(4)15(13(11)3)9-17(7)10-16(5,6)18/h8,18H,9-10H2,1-7H3.
What are the key properties of 2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol?
2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol has a molecular weight of 249.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-[(2,3,5,6-tetramethylphenyl)methyl]amino]propan-2-ol is sourced from PubChem (CID 115137003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).