(4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol

C11H17NO2 — CID 163513672

IUPAC(4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)c1ccc(N)cc1
InChIInChI=1S/C11H17NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7,10,13H,12H2,1-3H3
InChIKeyDEVYDOPKFYUEKF-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.07
Rot. Bonds2

About (4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol

(4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 163513672) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name(4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID163513672
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)c1ccc(N)cc1
InChIInChI=1S/C11H17NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7,10,13H,12H2,1-3H3
InChIKeyDEVYDOPKFYUEKF-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-Aminobenzyl alcohol
CID 69331
4-Amino-alpha-methylbenzenemethanol
CID 85753
(1S)-1-(4-aminophenyl)ethan-1-ol
CID 6951270
4-(Methoxymethyl)aniline
CID 15212002
3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline
CID 778106
1-(4-Aminophenyl)-1-propanol
CID 235875
4-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline
CID 4206872
(1R)-1-(4-aminophenyl)ethan-1-ol
CID 6951271
4-((Cyclopentyloxy)methyl)aniline
CID 16790924
4-[(2-Methoxyethoxy)methyl]aniline
CID 20112370
4-[(Tert-butoxy)methyl]aniline
CID 28995369
4-(1-Methoxyethyl)benzenamine
CID 59830861

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of (4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol (CID 163513672) is (4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for (4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for (4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol is CC(C)(C)OC(O)c1ccc(N)cc1.
What is the InChIKey of (4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is DEVYDOPKFYUEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7,10,13H,12H2,1-3H3.
What are the key properties of (4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol?
(4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 195.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 163513672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).