2-amino-1-(2-tert-butylphenyl)ethanol

C12H19NO — CID 18627964

IUPAC2-amino-1-(2-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccccc1C(O)CN
InChIInChI=1S/C12H19NO/c1-12(2,3)10-7-5-4-6-9(10)11(14)8-13/h4-7,11,14H,8,13H2,1-3H3
InChIKeyUARMHCRISVOFHQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.98
Rot. Bonds2

About 2-amino-1-(2-tert-butylphenyl)ethanol

2-amino-1-(2-tert-butylphenyl)ethanol (PubChem CID 18627964) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-amino-1-(2-tert-butylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-tert-butylphenyl)ethanol
PubChem CID18627964
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-amino-1-(2-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccccc1C(O)CN
InChIInChI=1S/C12H19NO/c1-12(2,3)10-7-5-4-6-9(10)11(14)8-13/h4-7,11,14H,8,13H2,1-3H3
InChIKeyUARMHCRISVOFHQ-UHFFFAOYSA-N
XLogP1.98
TPSA46.25 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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(2-tert-butylphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
1-(2-tert-butylphenyl)-5-methylhexan-1-ol
CID 115829952
1-(2-tert-butylphenyl)-2-cyclopropylethanol
CID 115804027
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol
CID 114977195
4-amino-3-(2-tert-butylphenyl)butanoic acid
CID 84797586
(2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol
CID 170551631
3-amino-3-(2-tert-butylphenyl)propan-1-ol
CID 84779858
1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol
CID 115785100
2-amino-1-phenylethanol;ethane
CID 91425169
2-amino-2-(2-tert-butylphenyl)acetic acid
CID 77127946
(2-tert-butylphenyl)-(2-chlorophenyl)methanol
CID 114980515

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-tert-butylphenyl)ethanol?
The IUPAC name of 2-amino-1-(2-tert-butylphenyl)ethanol (CID 18627964) is 2-amino-1-(2-tert-butylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2-tert-butylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(2-tert-butylphenyl)ethanol is CC(C)(C)c1ccccc1C(O)CN.
What is the InChIKey of 2-amino-1-(2-tert-butylphenyl)ethanol?
The InChIKey is UARMHCRISVOFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)10-7-5-4-6-9(10)11(14)8-13/h4-7,11,14H,8,13H2,1-3H3.
What are the key properties of 2-amino-1-(2-tert-butylphenyl)ethanol?
2-amino-1-(2-tert-butylphenyl)ethanol has a molecular weight of 193.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-tert-butylphenyl)ethanol is sourced from PubChem (CID 18627964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).