3-[(2-methylpropan-2-yl)oxy]aniline

C10H15NO — CID 19389149

IUPAC3-[(2-methylpropan-2-yl)oxy]aniline
SMILESCC(C)(C)Oc1cccc(N)c1
InChIInChI=1S/C10H15NO/c1-10(2,3)12-9-6-4-5-8(11)7-9/h4-7H,11H2,1-3H3
InChIKeyFUVDLLWBPFIARM-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.45
Rot. Bonds1

About 3-[(2-methylpropan-2-yl)oxy]aniline

3-[(2-methylpropan-2-yl)oxy]aniline (PubChem CID 19389149) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]aniline.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]aniline
PubChem CID19389149
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-[(2-methylpropan-2-yl)oxy]aniline
SMILESCC(C)(C)Oc1cccc(N)c1
InChIInChI=1S/C10H15NO/c1-10(2,3)12-9-6-4-5-8(11)7-9/h4-7H,11H2,1-3H3
InChIKeyFUVDLLWBPFIARM-UHFFFAOYSA-N
XLogP2.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-fluoro-2-methylpropoxy)aniline
CID 84659068
1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 11298360
3-methoxyaniline;sulfane
CID 174447811
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
CID 126802306
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
1-[3-[(2-methylpropan-2-yl)oxy]phenoxy]propan-1-amine
CID 67825712
3-[2-[2-[2-(3-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 22483776
1-but-2-enyl-3-[(2-methylpropan-2-yl)oxy]benzene
CID 54025707
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
tris(3-aminophenyl) phosphite
CID 21288374

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]aniline?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]aniline (CID 19389149) is 3-[(2-methylpropan-2-yl)oxy]aniline.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]aniline?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]aniline is CC(C)(C)Oc1cccc(N)c1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]aniline?
The InChIKey is FUVDLLWBPFIARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-10(2,3)12-9-6-4-5-8(11)7-9/h4-7H,11H2,1-3H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]aniline?
3-[(2-methylpropan-2-yl)oxy]aniline has a molecular weight of 165.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]aniline is sourced from PubChem (CID 19389149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).