2-(tert-butylamino)-1-phenylethanol

C12H19NO — CID 533905

IUPAC2-(tert-butylamino)-1-phenylethanol
SMILESCC(C)(C)NCC(O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3
InChIKeyNRVOOKOHYKJCPB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds3

About 2-(tert-butylamino)-1-phenylethanol

2-(tert-butylamino)-1-phenylethanol (PubChem CID 533905) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-phenylethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-phenylethanol
PubChem CID533905
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(tert-butylamino)-1-phenylethanol
SMILESCC(C)(C)NCC(O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3
InChIKeyNRVOOKOHYKJCPB-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-phenylethanol?
The IUPAC name of 2-(tert-butylamino)-1-phenylethanol (CID 533905) is 2-(tert-butylamino)-1-phenylethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-phenylethanol?
The canonical SMILES for 2-(tert-butylamino)-1-phenylethanol is CC(C)(C)NCC(O)c1ccccc1.
What is the InChIKey of 2-(tert-butylamino)-1-phenylethanol?
The InChIKey is NRVOOKOHYKJCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h4-8,11,13-14H,9H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-phenylethanol?
2-(tert-butylamino)-1-phenylethanol has a molecular weight of 193.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-phenylethanol is sourced from PubChem (CID 533905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).