2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol

C12H19NO2 — CID 102533878

IUPAC2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
SMILESCC(C)COc1ccc(C(O)CN)cc1
InChIInChI=1S/C12H19NO2/c1-9(2)8-15-11-5-3-10(4-6-11)12(14)7-13/h3-6,9,12,14H,7-8,13H2,1-2H3
InChIKeyZVJVTRCHTXNKIV-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.71
Rot. Bonds5

About 2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol

2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol (PubChem CID 102533878) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
PubChem CID102533878
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
SMILESCC(C)COc1ccc(C(O)CN)cc1
InChIInChI=1S/C12H19NO2/c1-9(2)8-15-11-5-3-10(4-6-11)12(14)7-13/h3-6,9,12,14H,7-8,13H2,1-2H3
InChIKeyZVJVTRCHTXNKIV-UHFFFAOYSA-N
XLogP1.71
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 16642374
2-(4-aminophenoxy)-1-(4-propan-2-ylphenyl)ethanol
CID 46307232
1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol
CID 65189512
2,3-dihydroxy-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 170825217
3-amino-1-cyclopentyl-2-[4-(2-methylpropoxy)phenyl]propan-1-ol
CID 65189415
4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol
CID 65189752
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
1-methoxy-4-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene
CID 163393243
1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol
CID 65189462
methyl 2-[4-(2-methylpropoxy)phenyl]propanoate
CID 135079153
2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 112512800
2-amino-1-[4-(1-methoxyethyl)phenyl]ethanol
CID 117285517

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol?
The IUPAC name of 2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol (CID 102533878) is 2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol?
The canonical SMILES for 2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol is CC(C)COc1ccc(C(O)CN)cc1.
What is the InChIKey of 2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol?
The InChIKey is ZVJVTRCHTXNKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)8-15-11-5-3-10(4-6-11)12(14)7-13/h3-6,9,12,14H,7-8,13H2,1-2H3.
What are the key properties of 2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol?
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol has a molecular weight of 209.29 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol is sourced from PubChem (CID 102533878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).