2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline

C12H19NO — CID 43509379

IUPAC2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline
SMILESCc1c(N)cccc1COC(C)(C)C
InChIInChI=1S/C12H19NO/c1-9-10(6-5-7-11(9)13)8-14-12(2,3)4/h5-7H,8,13H2,1-4H3
InChIKeyAGRRAFIZIRFXQL-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.89
Rot. Bonds2

About 2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline

2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline (PubChem CID 43509379) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline
PubChem CID43509379
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline
SMILESCc1c(N)cccc1COC(C)(C)C
InChIInChI=1S/C12H19NO/c1-9-10(6-5-7-11(9)13)8-14-12(2,3)4/h5-7H,8,13H2,1-4H3
InChIKeyAGRRAFIZIRFXQL-UHFFFAOYSA-N
XLogP2.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.89
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-Methoxymethyl-p-phenylenediamine
CID 9793859
2-(Methoxymethyl)aniline
CID 12334306
1,3-Dihydro-2-benzofuran-5-amine
CID 12445339
(3-Amino-2-methylphenyl)methanol
CID 577175
2-(((2-Aminophenyl)methoxy)methyl)aniline
CID 12618671
2-(2-Methoxyethyl)aniline
CID 15208917
(2-Amino-6-methylphenyl)methanol
CID 15339417
2-(Methoxymethyl)-3-methyl-aniline
CID 89875897
3-(4,4,5,5-Tetramethyl-1,3-dioxolan-2-yl)aniline
CID 778106
2-(1-Ethoxy-1,2,2,3,3,4,4,4-octafluorobutyl)aniline
CID 131851352
3-(Dimethoxymethyl)aniline
CID 232571
(5-Amino-2-methylphenyl)methanol
CID 292097

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline?
The IUPAC name of 2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline (CID 43509379) is 2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline.
What is the SMILES notation for 2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline?
The canonical SMILES for 2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline is Cc1c(N)cccc1COC(C)(C)C.
What is the InChIKey of 2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline?
The InChIKey is AGRRAFIZIRFXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-9-10(6-5-7-11(9)13)8-14-12(2,3)4/h5-7H,8,13H2,1-4H3.
What are the key properties of 2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline?
2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline has a molecular weight of 193.29 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpropan-2-yl)oxymethyl]aniline is sourced from PubChem (CID 43509379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).