3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol

C16H27NO — CID 115217119

IUPAC3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol
SMILESCN(CCCO)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-16(2,3)15-8-6-14(7-9-15)10-12-17(4)11-5-13-18/h6-9,18H,5,10-13H2,1-4H3
InChIKeyUDMQSJWFBQNWPO-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.84
Rot. Bonds6

About 3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol

3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol (PubChem CID 115217119) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol
PubChem CID115217119
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol
SMILESCN(CCCO)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-16(2,3)15-8-6-14(7-9-15)10-12-17(4)11-5-13-18/h6-9,18H,5,10-13H2,1-4H3
InChIKeyUDMQSJWFBQNWPO-UHFFFAOYSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-(4-tert-butylphenyl)ethyl]-N,N'-dimethylmethanediamine
CID 115227284
4-[methyl-[2-(4-methylsulfanylphenyl)ethyl]amino]butan-1-ol
CID 115217902
3-(4-tert-butyl-N-methylanilino)propan-1-ol
CID 94258791
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-N-methylacetamide
CID 94689627
3-[4-[2-[4-(3-hydroxypropyl)phenyl]propan-2-yl]phenyl]propan-1-ol
CID 54337384
N-[2-(4-tert-butylphenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195005
3-[2-(3-fluorophenyl)ethyl-methylamino]propan-1-ol
CID 115217213
3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol
CID 115216933
4-[2-(3-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 115217920
4-[(5-tert-butyl-2-methylphenyl)methyl-methylamino]butan-1-ol
CID 115217659
3-(4-tert-butylphenyl)-N,N-dimethylpropanethioamide
CID 162716642
2-amino-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]hexan-1-ol
CID 64825270

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol?
The IUPAC name of 3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol (CID 115217119) is 3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol?
The canonical SMILES for 3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol is CN(CCCO)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol?
The InChIKey is UDMQSJWFBQNWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-16(2,3)15-8-6-14(7-9-15)10-12-17(4)11-5-13-18/h6-9,18H,5,10-13H2,1-4H3.
What are the key properties of 3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol?
3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butylphenyl)ethyl-methylamino]propan-1-ol is sourced from PubChem (CID 115217119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).