3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol

C15H25NO — CID 83141752

IUPAC3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
SMILESCC(NCC(C)C(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C15H25NO/c1-11(15(3,4)5)10-16-12(2)13-7-6-8-14(17)9-13/h6-9,11-12,16-17H,10H2,1-5H3
InChIKeyHMROQPJUIBOSTR-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.72
Rot. Bonds4

About 3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol

3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol (PubChem CID 83141752) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
PubChem CID83141752
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
SMILESCC(NCC(C)C(C)(C)C)c1cccc(O)c1
InChIInChI=1S/C15H25NO/c1-11(15(3,4)5)10-16-12(2)13-7-6-8-14(17)9-13/h6-9,11-12,16-17H,10H2,1-5H3
InChIKeyHMROQPJUIBOSTR-UHFFFAOYSA-N
XLogP3.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[1-[[2-(dimethylamino)-2-methylpropyl]amino]ethyl]phenol
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N-[1-(3,4-dimethylphenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83143106
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-[(1S)-1-(3-methylbut-2-enylamino)ethyl]phenol
CID 122156905
3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol
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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol?
The IUPAC name of 3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol (CID 83141752) is 3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol?
The canonical SMILES for 3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol is CC(NCC(C)C(C)(C)C)c1cccc(O)c1.
What is the InChIKey of 3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol?
The InChIKey is HMROQPJUIBOSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(15(3,4)5)10-16-12(2)13-7-6-8-14(17)9-13/h6-9,11-12,16-17H,10H2,1-5H3.
What are the key properties of 3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol?
3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol has a molecular weight of 235.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol is sourced from PubChem (CID 83141752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).