4-methyl-2-pentan-2-yloxyaniline

C12H19NO — CID 102980406

IUPAC4-methyl-2-pentan-2-yloxyaniline
SMILESCCCC(C)Oc1cc(C)ccc1N
InChIInChI=1S/C12H19NO/c1-4-5-10(3)14-12-8-9(2)6-7-11(12)13/h6-8,10H,4-5,13H2,1-3H3
InChIKeyLIGTXDFAAIBZHG-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.14
Rot. Bonds4

About 4-methyl-2-pentan-2-yloxyaniline

4-methyl-2-pentan-2-yloxyaniline (PubChem CID 102980406) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-methyl-2-pentan-2-yloxyaniline.

Molecular Properties

Compound Name4-methyl-2-pentan-2-yloxyaniline
PubChem CID102980406
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-methyl-2-pentan-2-yloxyaniline
SMILESCCCC(C)Oc1cc(C)ccc1N
InChIInChI=1S/C12H19NO/c1-4-5-10(3)14-12-8-9(2)6-7-11(12)13/h6-8,10H,4-5,13H2,1-3H3
InChIKeyLIGTXDFAAIBZHG-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.14
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

2-[4-(diethylamino)butan-2-yloxy]-4-methylaniline
CID 82037228
(1S)-1-(4-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107891054
ethyl 2-(2-amino-5-methylphenoxy)pentanoate
CID 83034439
4-methyl-2-pentan-2-yloxybenzonitrile
CID 102981671
2-[(2R)-heptan-2-yl]oxy-5-methylaniline
CID 40788230
4-amino-N,N-dimethyl-3-pentan-2-yloxybenzamide
CID 102980332
2-methyl-4-pentan-2-yloxyaniline
CID 102980398
4-methyl-3-pentan-2-yloxyaniline
CID 107890554
3-methyl-4-pentan-2-yloxyaniline
CID 102980374
3-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
CID 57266754
4-methyl-2-propoxyaniline
CID 24698653
N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013308

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pentan-2-yloxyaniline?
The IUPAC name of 4-methyl-2-pentan-2-yloxyaniline (CID 102980406) is 4-methyl-2-pentan-2-yloxyaniline.
What is the SMILES notation for 4-methyl-2-pentan-2-yloxyaniline?
The canonical SMILES for 4-methyl-2-pentan-2-yloxyaniline is CCCC(C)Oc1cc(C)ccc1N.
What is the InChIKey of 4-methyl-2-pentan-2-yloxyaniline?
The InChIKey is LIGTXDFAAIBZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-10(3)14-12-8-9(2)6-7-11(12)13/h6-8,10H,4-5,13H2,1-3H3.
What are the key properties of 4-methyl-2-pentan-2-yloxyaniline?
4-methyl-2-pentan-2-yloxyaniline has a molecular weight of 193.29 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pentan-2-yloxyaniline is sourced from PubChem (CID 102980406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).