1-[3-(tert-butylamino)phenyl]ethanol

C12H19NO — CID 12585902

IUPAC1-[3-(tert-butylamino)phenyl]ethanol
SMILESCC(O)c1cccc(NC(C)(C)C)c1
InChIInChI=1S/C12H19NO/c1-9(14)10-6-5-7-11(8-10)13-12(2,3)4/h5-9,13-14H,1-4H3
InChIKeyQJAZARPBPMEIBG-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.95
Rot. Bonds2

About 1-[3-(tert-butylamino)phenyl]ethanol

1-[3-(tert-butylamino)phenyl]ethanol (PubChem CID 12585902) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[3-(tert-butylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(tert-butylamino)phenyl]ethanol
PubChem CID12585902
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-[3-(tert-butylamino)phenyl]ethanol
SMILESCC(O)c1cccc(NC(C)(C)C)c1
InChIInChI=1S/C12H19NO/c1-9(14)10-6-5-7-11(8-10)13-12(2,3)4/h5-9,13-14H,1-4H3
InChIKeyQJAZARPBPMEIBG-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-(2-methoxyethylamino)phenyl]ethanol
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1-[3-(1-hydroxyethyl)phenyl]-3-propan-2-ylthiourea
CID 134097128
(1R)-1-[3-[3-[(1R)-1-hydroxyethyl]phenyl]phenyl]ethanol
CID 15321486
(2R)-N-[3-[(1S)-1-hydroxyethyl]phenyl]-2-phenylbutanamide
CID 7314172
3-[[3-(1-hydroxyethyl)phenyl]carbamoylamino]-3-methylbutanamide
CID 106098277
1-[3-(1-hydroxyethyl)phenyl]-3-(3-methylpentan-2-yl)urea
CID 61466439

Frequently Asked Questions

What is the IUPAC name of 1-[3-(tert-butylamino)phenyl]ethanol?
The IUPAC name of 1-[3-(tert-butylamino)phenyl]ethanol (CID 12585902) is 1-[3-(tert-butylamino)phenyl]ethanol.
What is the SMILES notation for 1-[3-(tert-butylamino)phenyl]ethanol?
The canonical SMILES for 1-[3-(tert-butylamino)phenyl]ethanol is CC(O)c1cccc(NC(C)(C)C)c1.
What is the InChIKey of 1-[3-(tert-butylamino)phenyl]ethanol?
The InChIKey is QJAZARPBPMEIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9(14)10-6-5-7-11(8-10)13-12(2,3)4/h5-9,13-14H,1-4H3.
What are the key properties of 1-[3-(tert-butylamino)phenyl]ethanol?
1-[3-(tert-butylamino)phenyl]ethanol has a molecular weight of 193.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(tert-butylamino)phenyl]ethanol is sourced from PubChem (CID 12585902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).