2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline

C13H21NO — CID 43509385

IUPAC2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline
SMILESCCC(C)(C)OCc1cccc(N)c1C
InChIInChI=1S/C13H21NO/c1-5-13(3,4)15-9-11-7-6-8-12(14)10(11)2/h6-8H,5,9,14H2,1-4H3
InChIKeyXICRXNIHRXUFFI-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.28
Rot. Bonds4

About 2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline

2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline (PubChem CID 43509385) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline.

Molecular Properties

Compound Name2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline
PubChem CID43509385
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline
SMILESCCC(C)(C)OCc1cccc(N)c1C
InChIInChI=1S/C13H21NO/c1-5-13(3,4)15-9-11-7-6-8-12(14)10(11)2/h6-8H,5,9,14H2,1-4H3
InChIKeyXICRXNIHRXUFFI-UHFFFAOYSA-N
XLogP3.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.28
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-(methoxymethyl)-2-methylaniline
CID 14801184
3-[(2-ethylphenoxy)methyl]-2-methylaniline
CID 43509418
3-ethyl-2-methylaniline
CID 19879636
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333
methyl 2-amino-3-(2-methylbutan-2-yloxymethyl)benzoate
CID 104721950
5-bromo-2-(2-methylbutan-2-yloxymethyl)aniline
CID 114380790
2-methyl-3-(phenylmethoxymethyl)aniline
CID 43509269
2-[2-(2-methylbutan-2-yloxymethyl)phenyl]acetic acid
CID 115460664
3-[(4-ethylphenoxy)methyl]-2-methylaniline
CID 43509295
3-(tert-butylsulfanylmethyl)-2-methylaniline
CID 43509463
2-methyl-3-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 43509396
3-(furan-2-ylmethoxymethyl)-2-methylaniline
CID 43509271

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline?
The IUPAC name of 2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline (CID 43509385) is 2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline.
What is the SMILES notation for 2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline?
The canonical SMILES for 2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline is CCC(C)(C)OCc1cccc(N)c1C.
What is the InChIKey of 2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline?
The InChIKey is XICRXNIHRXUFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-13(3,4)15-9-11-7-6-8-12(14)10(11)2/h6-8H,5,9,14H2,1-4H3.
What are the key properties of 2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline?
2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline has a molecular weight of 207.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylbutan-2-yloxymethyl)aniline is sourced from PubChem (CID 43509385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).