2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol

C16H27NO — CID 115359242

IUPAC2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol
SMILESCc1cc(C)c(C(C)NCC(C)(C)CO)c(C)c1
InChIInChI=1S/C16H27NO/c1-11-7-12(2)15(13(3)8-11)14(4)17-9-16(5,6)10-18/h7-8,14,17-18H,9-10H2,1-6H3
InChIKeyUDXQQOGYXSMINU-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.28
Rot. Bonds5

About 2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol

2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol (PubChem CID 115359242) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol
PubChem CID115359242
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol
SMILESCc1cc(C)c(C(C)NCC(C)(C)CO)c(C)c1
InChIInChI=1S/C16H27NO/c1-11-7-12(2)15(13(3)8-11)14(4)17-9-16(5,6)10-18/h7-8,14,17-18H,9-10H2,1-6H3
InChIKeyUDXQQOGYXSMINU-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[1-(2,4,6-trimethylphenyl)ethyl]propan-1-amine
CID 43097444
3-[1-(4-tert-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414849
2,2-dimethyl-3-[1-(4-methyl-3-nitrophenyl)ethylamino]propan-1-ol
CID 115359124
3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 113293722
[1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358873
3-[1-(furan-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414268
2,2-dimethyl-3-(1-thiophen-2-ylethylamino)propan-1-ol
CID 81414185
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 81411975
N-(2-methoxyethyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43190158
N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 16770838
3-[1-(5-bromothiophen-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359127
4-[1-(2,4,6-trimethylphenyl)ethylamino]butanamide
CID 60865371

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol (CID 115359242) is 2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol is Cc1cc(C)c(C(C)NCC(C)(C)CO)c(C)c1.
What is the InChIKey of 2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol?
The InChIKey is UDXQQOGYXSMINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-11-7-12(2)15(13(3)8-11)14(4)17-9-16(5,6)10-18/h7-8,14,17-18H,9-10H2,1-6H3.
What are the key properties of 2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol?
2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[1-(2,4,6-trimethylphenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 115359242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).