3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol

C17H29NO — CID 115216933

IUPAC3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1CN(C)CCCO
InChIInChI=1S/C17H29NO/c1-13-10-15(17(3,4)5)11-14(2)16(13)12-18(6)8-7-9-19/h10-11,19H,7-9,12H2,1-6H3
InChIKeyOGYDJPGKSDOZSA-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.42
Rot. Bonds5

About 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol

3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol (PubChem CID 115216933) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol
PubChem CID115216933
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1CN(C)CCCO
InChIInChI=1S/C17H29NO/c1-13-10-15(17(3,4)5)11-14(2)16(13)12-18(6)8-7-9-19/h10-11,19H,7-9,12H2,1-6H3
InChIKeyOGYDJPGKSDOZSA-UHFFFAOYSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]butan-1-ol
CID 115217664
N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-2-chloro-N-methylethanamine
CID 115214949
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686630
4-[(5-tert-butyl-2-methylphenyl)methyl-methylamino]butan-1-ol
CID 115217659
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-propan-2-ylamino]ethanol
CID 60693669
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484946
1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-1,3-dimethylurea
CID 115169248
2,2-dimethyl-3-[methyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoic acid
CID 115136607
3-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]propan-1-ol
CID 115216939
3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol
CID 115217119
3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol
CID 115217050

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol (CID 115216933) is 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol is Cc1cc(C(C)(C)C)cc(C)c1CN(C)CCCO.
What is the InChIKey of 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol?
The InChIKey is OGYDJPGKSDOZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13-10-15(17(3,4)5)11-14(2)16(13)12-18(6)8-7-9-19/h10-11,19H,7-9,12H2,1-6H3.
What are the key properties of 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol?
3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 115216933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).