2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol

C17H29NO — CID 116913443

IUPAC2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol
SMILESCc1cc(C)c(C(C(CO)C(C)C)N(C)C)cc1C
InChIInChI=1S/C17H29NO/c1-11(2)16(10-19)17(18(6)7)15-9-13(4)12(3)8-14(15)5/h8-9,11,16-17,19H,10H2,1-7H3
InChIKeyXWKCFWNBLKBORA-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.48
Rot. Bonds5

About 2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol

2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol (PubChem CID 116913443) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol
PubChem CID116913443
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol
SMILESCc1cc(C)c(C(C(CO)C(C)C)N(C)C)cc1C
InChIInChI=1S/C17H29NO/c1-11(2)16(10-19)17(18(6)7)15-9-13(4)12(3)8-14(15)5/h8-9,11,16-17,19H,10H2,1-7H3
InChIKeyXWKCFWNBLKBORA-UHFFFAOYSA-N
XLogP3.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol?
The IUPAC name of 2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol (CID 116913443) is 2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol?
The canonical SMILES for 2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol is Cc1cc(C)c(C(C(CO)C(C)C)N(C)C)cc1C.
What is the InChIKey of 2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol?
The InChIKey is XWKCFWNBLKBORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-11(2)16(10-19)17(18(6)7)15-9-13(4)12(3)8-14(15)5/h8-9,11,16-17,19H,10H2,1-7H3.
What are the key properties of 2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol?
2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol has a molecular weight of 263.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylamino-(2,4,5-trimethylphenyl)methyl]-3-methylbutan-1-ol is sourced from PubChem (CID 116913443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).