4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline

C12H19NO — CID 43519746

IUPAC4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
SMILESCC(C)(C)OCCc1ccc(N)cc1
InChIInChI=1S/C12H19NO/c1-12(2,3)14-9-8-10-4-6-11(13)7-5-10/h4-7H,8-9,13H2,1-3H3
InChIKeyMSWWWEAGXWAHRM-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.63
Rot. Bonds3

About 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline

4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline (PubChem CID 43519746) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
PubChem CID43519746
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
SMILESCC(C)(C)OCCc1ccc(N)cc1
InChIInChI=1S/C12H19NO/c1-12(2,3)14-9-8-10-4-6-11(13)7-5-10/h4-7H,8-9,13H2,1-3H3
InChIKeyMSWWWEAGXWAHRM-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline?
The IUPAC name of 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline (CID 43519746) is 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline.
What is the SMILES notation for 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline?
The canonical SMILES for 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline is CC(C)(C)OCCc1ccc(N)cc1.
What is the InChIKey of 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline?
The InChIKey is MSWWWEAGXWAHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2,3)14-9-8-10-4-6-11(13)7-5-10/h4-7H,8-9,13H2,1-3H3.
What are the key properties of 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline?
4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline has a molecular weight of 193.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline is sourced from PubChem (CID 43519746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).